2-[(4-fluorophenyl)methylidene]cyclohexan-1-one

C13H13FO — CID 54228214

IUPAC2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCCC1=Cc1ccc(F)cc1
InChIInChI=1S/C13H13FO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-9H,1-4H2
InChIKeyQHIXANQMFMPMDV-UHFFFAOYSA-N
MW204.24 g/mol
LogP3.35
Rot. Bonds1

About 2-[(4-fluorophenyl)methylidene]cyclohexan-1-one

2-[(4-fluorophenyl)methylidene]cyclohexan-1-one (PubChem CID 54228214) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
PubChem CID54228214
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCCC1=Cc1ccc(F)cc1
InChIInChI=1S/C13H13FO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-9H,1-4H2
InChIKeyQHIXANQMFMPMDV-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylidene]cyclohexan-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methylidene]cyclohexan-1-one (CID 54228214) is 2-[(4-fluorophenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylidene]cyclohexan-1-one is O=C1CCCCC1=Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylidene]cyclohexan-1-one?
The InChIKey is QHIXANQMFMPMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-9H,1-4H2.
What are the key properties of 2-[(4-fluorophenyl)methylidene]cyclohexan-1-one?
2-[(4-fluorophenyl)methylidene]cyclohexan-1-one has a molecular weight of 204.24 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 54228214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).