3-(4-fluorobenzoyl)cyclohexan-1-one

C13H13FO2 — CID 79625702

IUPAC3-(4-fluorobenzoyl)cyclohexan-1-one
SMILESO=C1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H13FO2/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h4-7,10H,1-3,8H2
InChIKeyDJESMOXUBTUYLW-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.77
Rot. Bonds2

About 3-(4-fluorobenzoyl)cyclohexan-1-one

3-(4-fluorobenzoyl)cyclohexan-1-one (PubChem CID 79625702) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)cyclohexan-1-one
PubChem CID79625702
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name3-(4-fluorobenzoyl)cyclohexan-1-one
SMILESO=C1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H13FO2/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h4-7,10H,1-3,8H2
InChIKeyDJESMOXUBTUYLW-UHFFFAOYSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-propoxybenzoyl)cyclohexan-1-one
CID 79625101
3-(3,5-dichlorobenzoyl)cyclohexan-1-one
CID 79626074
3-(4-methylbenzoyl)cyclopentan-1-one
CID 79639548
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
3-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 53436276
3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one
CID 79624962
3-(4-chloro-2-fluorobenzoyl)cyclohexan-1-one
CID 114859315
3-[3-(trifluoromethoxy)benzoyl]cyclohexan-1-one
CID 107104941
3-(2,6-dichlorobenzoyl)cyclohexan-1-one
CID 79625699
3-(4-ethylbenzoyl)cyclopentan-1-one
CID 79639553
(1S)-3-oxocyclohexane-1-carboxamide
CID 124538181
3-(2,4-difluorobenzoyl)cyclopentan-1-one
CID 79639435

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)cyclohexan-1-one?
The IUPAC name of 3-(4-fluorobenzoyl)cyclohexan-1-one (CID 79625702) is 3-(4-fluorobenzoyl)cyclohexan-1-one.
What is the SMILES notation for 3-(4-fluorobenzoyl)cyclohexan-1-one?
The canonical SMILES for 3-(4-fluorobenzoyl)cyclohexan-1-one is O=C1CCCC(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorobenzoyl)cyclohexan-1-one?
The InChIKey is DJESMOXUBTUYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h4-7,10H,1-3,8H2.
What are the key properties of 3-(4-fluorobenzoyl)cyclohexan-1-one?
3-(4-fluorobenzoyl)cyclohexan-1-one has a molecular weight of 220.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)cyclohexan-1-one is sourced from PubChem (CID 79625702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).