3-[(4-fluorophenyl)methyl]cyclohexan-1-one

C13H15FO — CID 13439748

IUPAC3-[(4-fluorophenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H15FO/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h4-7,11H,1-3,8-9H2
InChIKeyMCDHBZIIMZSXQT-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.13
Rot. Bonds2

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

3-[(4-fluorophenyl)methyl]cyclohexan-1-one (PubChem CID 13439748) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]cyclohexan-1-one
PubChem CID13439748
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name3-[(4-fluorophenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H15FO/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h4-7,11H,1-3,8-9H2
InChIKeyMCDHBZIIMZSXQT-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]cyclohexan-1-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]cyclohexan-1-one (CID 13439748) is 3-[(4-fluorophenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]cyclohexan-1-one is O=C1CCCC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]cyclohexan-1-one?
The InChIKey is MCDHBZIIMZSXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h4-7,11H,1-3,8-9H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]cyclohexan-1-one?
3-[(4-fluorophenyl)methyl]cyclohexan-1-one has a molecular weight of 206.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 13439748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).