2-[(2-fluorophenyl)methoxy]cyclohexan-1-one

C13H15FO2 — CID 13476787

IUPAC2-[(2-fluorophenyl)methoxy]cyclohexan-1-one
SMILESO=C1CCCCC1OCc1ccccc1F
InChIInChI=1S/C13H15FO2/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-2,5-6,13H,3-4,7-9H2
InChIKeyBYGKZYSSLOBNML-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.85
Rot. Bonds3

About 2-[(2-fluorophenyl)methoxy]cyclohexan-1-one

2-[(2-fluorophenyl)methoxy]cyclohexan-1-one (PubChem CID 13476787) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]cyclohexan-1-one
PubChem CID13476787
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-[(2-fluorophenyl)methoxy]cyclohexan-1-one
SMILESO=C1CCCCC1OCc1ccccc1F
InChIInChI=1S/C13H15FO2/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-2,5-6,13H,3-4,7-9H2
InChIKeyBYGKZYSSLOBNML-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-fluorophenyl)methoxy]cyclohexan-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-[(2-fluorophenyl)methoxy]cyclohexan-1-one?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]cyclohexan-1-one (CID 13476787) is 2-[(2-fluorophenyl)methoxy]cyclohexan-1-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]cyclohexan-1-one?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]cyclohexan-1-one is O=C1CCCCC1OCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]cyclohexan-1-one?
The InChIKey is BYGKZYSSLOBNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-2,5-6,13H,3-4,7-9H2.
What are the key properties of 2-[(2-fluorophenyl)methoxy]cyclohexan-1-one?
2-[(2-fluorophenyl)methoxy]cyclohexan-1-one has a molecular weight of 222.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]cyclohexan-1-one is sourced from PubChem (CID 13476787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).