(3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol

C6H8F2O4 — CID 134856319

IUPAC(3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol
SMILESOC1=C(O)[C@H](O)[C@H](O)C(F)(F)C1
InChIInChI=1S/C6H8F2O4/c7-6(8)1-2(9)3(10)4(11)5(6)12/h4-5,9-12H,1H2/t4-,5-/m0/s1
InChIKeyPOGMEMGLJIVJCO-WHFBIAKZSA-N
MW182.12 g/mol
LogP0.07
Rot. Bonds

About (3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol

(3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol (PubChem CID 134856319) has the molecular formula C6H8F2O4 and a molecular weight of 182.12 g/mol. Its IUPAC name is (3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol
PubChem CID134856319
Molecular FormulaC6H8F2O4
Molecular Weight182.12 g/mol
Exact Mass182.04
IUPAC Name(3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol
SMILESOC1=C(O)[C@H](O)[C@H](O)C(F)(F)C1
InChIInChI=1S/C6H8F2O4/c7-6(8)1-2(9)3(10)4(11)5(6)12/h4-5,9-12H,1H2/t4-,5-/m0/s1
InChIKeyPOGMEMGLJIVJCO-WHFBIAKZSA-N
XLogP0.07
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol?
The IUPAC name of (3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol (CID 134856319) is (3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol.
What is the SMILES notation for (3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol?
The canonical SMILES for (3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol is OC1=C(O)[C@H](O)[C@H](O)C(F)(F)C1.
What is the InChIKey of (3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol?
The InChIKey is POGMEMGLJIVJCO-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H8F2O4/c7-6(8)1-2(9)3(10)4(11)5(6)12/h4-5,9-12H,1H2/t4-,5-/m0/s1.
What are the key properties of (3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol?
(3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol has a molecular weight of 182.12 g/mol, XLogP of 0.07, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-5,5-difluorocyclohexene-1,2,3,4-tetrol is sourced from PubChem (CID 134856319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).