(1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol

C6H8F2O2 — CID 101364298

IUPAC(1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol
SMILESO[C@H]1C=CCC(F)(F)[C@H]1O
InChIInChI=1S/C6H8F2O2/c7-6(8)3-1-2-4(9)5(6)10/h1-2,4-5,9-10H,3H2/t4-,5-/m0/s1
InChIKeyJXNYKUHVKCAULM-WHFBIAKZSA-N
MW150.12 g/mol
LogP0.30
Rot. Bonds

About (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol

(1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol (PubChem CID 101364298) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol
PubChem CID101364298
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name(1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol
SMILESO[C@H]1C=CCC(F)(F)[C@H]1O
InChIInChI=1S/C6H8F2O2/c7-6(8)3-1-2-4(9)5(6)10/h1-2,4-5,9-10H,3H2/t4-,5-/m0/s1
InChIKeyJXNYKUHVKCAULM-WHFBIAKZSA-N
XLogP0.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Conduritol A
CID 10290861
Conduritol B
CID 11029971
(1R,2R,3R,4S)-Cyclohex-5-ene-1,2,3,4-tetraol
CID 10057625
Cyclohex-5-ene-1,2,3,4-tetrol
CID 136345
3-Cyclohexene-1,2-diol
CID 12407016
(1S,2S)-Cyclohex-3-ene-1,2-diol
CID 10855422
(+)-Conduritol B
CID 65317
(1R,2R,3S,4R)-cyclohex-5-ene-1,2,3,4-tetrol
CID 11008046
Kondurite
CID 11094760
(-)-Conduritol B
CID 11768706
2-Fluorocyclohex-2-en-1-ol
CID 155858427
Conduritol C
CID 3083880

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol?
The IUPAC name of (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol (CID 101364298) is (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol.
What is the SMILES notation for (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol?
The canonical SMILES for (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol is O[C@H]1C=CCC(F)(F)[C@H]1O.
What is the InChIKey of (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol?
The InChIKey is JXNYKUHVKCAULM-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-6(8)3-1-2-4(9)5(6)10/h1-2,4-5,9-10H,3H2/t4-,5-/m0/s1.
What are the key properties of (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol?
(1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol has a molecular weight of 150.12 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-6,6-difluorocyclohex-3-ene-1,2-diol is sourced from PubChem (CID 101364298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).