1-fluorocyclohexane-1,3-diol

C6H11FO2 — CID 175445441

IUPAC1-fluorocyclohexane-1,3-diol
SMILESOC1CCCC(O)(F)C1
InChIInChI=1S/C6H11FO2/c7-6(9)3-1-2-5(8)4-6/h5,8-9H,1-4H2
InChIKeyIPJHWZJAKBCERZ-UHFFFAOYSA-N
MW134.15 g/mol
LogP0.58
Rot. Bonds

About 1-fluorocyclohexane-1,3-diol

1-fluorocyclohexane-1,3-diol (PubChem CID 175445441) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 1-fluorocyclohexane-1,3-diol.

Molecular Properties

Compound Name1-fluorocyclohexane-1,3-diol
PubChem CID175445441
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name1-fluorocyclohexane-1,3-diol
SMILESOC1CCCC(O)(F)C1
InChIInChI=1S/C6H11FO2/c7-6(9)3-1-2-5(8)4-6/h5,8-9H,1-4H2
InChIKeyIPJHWZJAKBCERZ-UHFFFAOYSA-N
XLogP0.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-fluorocyclohexane-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluorocyclohexane-1,3-diol?
The IUPAC name of 1-fluorocyclohexane-1,3-diol (CID 175445441) is 1-fluorocyclohexane-1,3-diol.
What is the SMILES notation for 1-fluorocyclohexane-1,3-diol?
The canonical SMILES for 1-fluorocyclohexane-1,3-diol is OC1CCCC(O)(F)C1.
What is the InChIKey of 1-fluorocyclohexane-1,3-diol?
The InChIKey is IPJHWZJAKBCERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c7-6(9)3-1-2-5(8)4-6/h5,8-9H,1-4H2.
What are the key properties of 1-fluorocyclohexane-1,3-diol?
1-fluorocyclohexane-1,3-diol has a molecular weight of 134.15 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclohexane-1,3-diol is sourced from PubChem (CID 175445441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).