(1S,2S)-3-fluorocyclohex-3-ene-1,2-diol

C6H9FO2 — CID 102276935

IUPAC(1S,2S)-3-fluorocyclohex-3-ene-1,2-diol
SMILESO[C@@H]1C(F)=CCC[C@@H]1O
InChIInChI=1S/C6H9FO2/c7-4-2-1-3-5(8)6(4)9/h2,5-6,8-9H,1,3H2/t5-,6+/m0/s1
InChIKeyGRAIAUMFIKQGQB-NTSWFWBYSA-N
MW132.13 g/mol
LogP0.36
Rot. Bonds

About (1S,2S)-3-fluorocyclohex-3-ene-1,2-diol

(1S,2S)-3-fluorocyclohex-3-ene-1,2-diol (PubChem CID 102276935) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is (1S,2S)-3-fluorocyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-3-fluorocyclohex-3-ene-1,2-diol
PubChem CID102276935
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name(1S,2S)-3-fluorocyclohex-3-ene-1,2-diol
SMILESO[C@@H]1C(F)=CCC[C@@H]1O
InChIInChI=1S/C6H9FO2/c7-4-2-1-3-5(8)6(4)9/h2,5-6,8-9H,1,3H2/t5-,6+/m0/s1
InChIKeyGRAIAUMFIKQGQB-NTSWFWBYSA-N
XLogP0.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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)-3-fluorocyclohex-3-ene-1,2-diol?
The IUPAC name of (1S,2S)-3-fluorocyclohex-3-ene-1,2-diol (CID 102276935) is (1S,2S)-3-fluorocyclohex-3-ene-1,2-diol.
What is the SMILES notation for (1S,2S)-3-fluorocyclohex-3-ene-1,2-diol?
The canonical SMILES for (1S,2S)-3-fluorocyclohex-3-ene-1,2-diol is O[C@@H]1C(F)=CCC[C@@H]1O.
What is the InChIKey of (1S,2S)-3-fluorocyclohex-3-ene-1,2-diol?
The InChIKey is GRAIAUMFIKQGQB-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H9FO2/c7-4-2-1-3-5(8)6(4)9/h2,5-6,8-9H,1,3H2/t5-,6+/m0/s1.
What are the key properties of (1S,2S)-3-fluorocyclohex-3-ene-1,2-diol?
(1S,2S)-3-fluorocyclohex-3-ene-1,2-diol has a molecular weight of 132.13 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-fluorocyclohex-3-ene-1,2-diol is sourced from PubChem (CID 102276935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).