4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one

C13H13FO — CID 83261540

IUPAC4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one
SMILESO=C1CC=C(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H13FO/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-3,5-6H,4,7-9H2
InChIKeyDWSIAUJBHYDLQI-UHFFFAOYSA-N
MW204.24 g/mol
LogP3.05
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one

4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one (PubChem CID 83261540) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one
PubChem CID83261540
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one
SMILESO=C1CC=C(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H13FO/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-3,5-6H,4,7-9H2
InChIKeyDWSIAUJBHYDLQI-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one (CID 83261540) is 4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one is O=C1CC=C(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one?
The InChIKey is DWSIAUJBHYDLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-3,5-6H,4,7-9H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one?
4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one has a molecular weight of 204.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]cyclohex-3-en-1-one is sourced from PubChem (CID 83261540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).