(3-fluorocyclohexyl)methanediol

C7H13FO2 — CID 67610376

IUPAC(3-fluorocyclohexyl)methanediol
SMILESOC(O)C1CCCC(F)C1
InChIInChI=1S/C7H13FO2/c8-6-3-1-2-5(4-6)7(9)10/h5-7,9-10H,1-4H2
InChIKeyXUSSNWNDYFQPMU-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.83
Rot. Bonds1

About (3-fluorocyclohexyl)methanediol

(3-fluorocyclohexyl)methanediol (PubChem CID 67610376) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is (3-fluorocyclohexyl)methanediol.

Molecular Properties

Compound Name(3-fluorocyclohexyl)methanediol
PubChem CID67610376
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name(3-fluorocyclohexyl)methanediol
SMILESOC(O)C1CCCC(F)C1
InChIInChI=1S/C7H13FO2/c8-6-3-1-2-5(4-6)7(9)10/h5-7,9-10H,1-4H2
InChIKeyXUSSNWNDYFQPMU-UHFFFAOYSA-N
XLogP0.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3-fluorocyclohexyl)methanediol 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 (3-fluorocyclohexyl)methanediol?
The IUPAC name of (3-fluorocyclohexyl)methanediol (CID 67610376) is (3-fluorocyclohexyl)methanediol.
What is the SMILES notation for (3-fluorocyclohexyl)methanediol?
The canonical SMILES for (3-fluorocyclohexyl)methanediol is OC(O)C1CCCC(F)C1.
What is the InChIKey of (3-fluorocyclohexyl)methanediol?
The InChIKey is XUSSNWNDYFQPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c8-6-3-1-2-5(4-6)7(9)10/h5-7,9-10H,1-4H2.
What are the key properties of (3-fluorocyclohexyl)methanediol?
(3-fluorocyclohexyl)methanediol has a molecular weight of 148.18 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohexyl)methanediol is sourced from PubChem (CID 67610376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).