Chemical identity

3,3-Difluoro-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one

CAS 939760-77-7 · C5H6F2O4

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-16117
PubChem CID13477302
Name3,3-Difluoro-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one
CAS RN939760-77-7
Molecular formulaC5H6F2O4
Molecular weight168.10 g/mol
IUPAC name3,3-Difluoro-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one
InChIKeyFBXJTMLCLDWDQO-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 13477302
Two-dimensional chemical structure of 3,3-Difluoro-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one, CAS 939760-77-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC(C1C(C(C(=O)O1)(F)F)O)O
InChINot listed
Formula from structureC5H6F2O4
Molecular weight from structure168.10 g/mol

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 939760-77-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 939760-77-7 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Gemcitabine

View API and impurity family

Other names

  • Gemcitabine Impurity 2 / 3,3-Difluoro-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one
  • Gemcitabine Impurity 2
  • 3,3-Difluoro-4-hydroxy-5-hydroxymethyl-dihydro-furan-2-one
  • 3,3-DIFLUORO-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-ONE
  • 939760-77-7
  • SCHEMBL764417
  • FBXJTMLCLDWDQO-UHFFFAOYSA-N
  • AKOS006288588
  • SY491407
  • DB-050172
  • DB-080167
  • 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-one

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources