2-fluoro-5-hydroxy-5-methylcyclohexan-1-one

C7H11FO2 — CID 13240941

IUPAC2-fluoro-5-hydroxy-5-methylcyclohexan-1-one
SMILESCC1(O)CCC(F)C(=O)C1
InChIInChI=1S/C7H11FO2/c1-7(10)3-2-5(8)6(9)4-7/h5,10H,2-4H2,1H3
InChIKeyQEDLZCPEWMIXJG-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.83
Rot. Bonds

About 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one

2-fluoro-5-hydroxy-5-methylcyclohexan-1-one (PubChem CID 13240941) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-fluoro-5-hydroxy-5-methylcyclohexan-1-one
PubChem CID13240941
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name2-fluoro-5-hydroxy-5-methylcyclohexan-1-one
SMILESCC1(O)CCC(F)C(=O)C1
InChIInChI=1S/C7H11FO2/c1-7(10)3-2-5(8)6(9)4-7/h5,10H,2-4H2,1H3
InChIKeyQEDLZCPEWMIXJG-UHFFFAOYSA-N
XLogP0.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one 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 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one?
The IUPAC name of 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one (CID 13240941) is 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one.
What is the SMILES notation for 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one?
The canonical SMILES for 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one is CC1(O)CCC(F)C(=O)C1.
What is the InChIKey of 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one?
The InChIKey is QEDLZCPEWMIXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-7(10)3-2-5(8)6(9)4-7/h5,10H,2-4H2,1H3.
What are the key properties of 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one?
2-fluoro-5-hydroxy-5-methylcyclohexan-1-one has a molecular weight of 146.16 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hydroxy-5-methylcyclohexan-1-one is sourced from PubChem (CID 13240941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).