2-fluorocyclohexan-1-one

C6H9FO — CID 11829404

IUPAC2-fluorocyclohexan-1-one
SMILESO=C1CCCCC1F
InChIInChI=1S/C6H9FO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
InChIKeyVQYOFTVCYSPHPG-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.47
Rot. Bonds

About 2-fluorocyclohexan-1-one

2-fluorocyclohexan-1-one (PubChem CID 11829404) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-fluorocyclohexan-1-one.

Molecular Properties

Compound Name2-fluorocyclohexan-1-one
PubChem CID11829404
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-fluorocyclohexan-1-one
SMILESO=C1CCCCC1F
InChIInChI=1S/C6H9FO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
InChIKeyVQYOFTVCYSPHPG-UHFFFAOYSA-N
XLogP1.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluorocyclohexan-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-fluorocyclohexan-1-one?
The IUPAC name of 2-fluorocyclohexan-1-one (CID 11829404) is 2-fluorocyclohexan-1-one.
What is the SMILES notation for 2-fluorocyclohexan-1-one?
The canonical SMILES for 2-fluorocyclohexan-1-one is O=C1CCCCC1F.
What is the InChIKey of 2-fluorocyclohexan-1-one?
The InChIKey is VQYOFTVCYSPHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2.
What are the key properties of 2-fluorocyclohexan-1-one?
2-fluorocyclohexan-1-one has a molecular weight of 116.13 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorocyclohexan-1-one is sourced from PubChem (CID 11829404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).