4-(4-fluorophenyl)cyclohexan-1-one

C12H13FO — CID 12834322

IUPAC4-(4-fluorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H13FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2
InChIKeyKSQIGHIYGAPXCW-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.05
Rot. Bonds1

About 4-(4-fluorophenyl)cyclohexan-1-one

4-(4-fluorophenyl)cyclohexan-1-one (PubChem CID 12834322) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)cyclohexan-1-one
PubChem CID12834322
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name4-(4-fluorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H13FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2
InChIKeyKSQIGHIYGAPXCW-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)cyclohexan-1-one?
The IUPAC name of 4-(4-fluorophenyl)cyclohexan-1-one (CID 12834322) is 4-(4-fluorophenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)cyclohexan-1-one is O=C1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)cyclohexan-1-one?
The InChIKey is KSQIGHIYGAPXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2.
What are the key properties of 4-(4-fluorophenyl)cyclohexan-1-one?
4-(4-fluorophenyl)cyclohexan-1-one has a molecular weight of 192.23 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)cyclohexan-1-one is sourced from PubChem (CID 12834322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).