3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one

C13H12ClFO2 — CID 79624962

IUPAC3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one
SMILESO=C1CCCC(C(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C13H12ClFO2/c14-10-5-2-6-11(15)12(10)13(17)8-3-1-4-9(16)7-8/h2,5-6,8H,1,3-4,7H2
InChIKeyAYVISCUZKORIIQ-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.42
Rot. Bonds2

About 3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one

3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one (PubChem CID 79624962) has the molecular formula C13H12ClFO2 and a molecular weight of 254.69 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one
PubChem CID79624962
Molecular FormulaC13H12ClFO2
Molecular Weight254.69 g/mol
Exact Mass254.05
IUPAC Name3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one
SMILESO=C1CCCC(C(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C13H12ClFO2/c14-10-5-2-6-11(15)12(10)13(17)8-3-1-4-9(16)7-8/h2,5-6,8H,1,3-4,7H2
InChIKeyAYVISCUZKORIIQ-UHFFFAOYSA-N
XLogP3.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichlorobenzoyl)cyclohexan-1-one
CID 79625699
3-(4-chloro-2-fluorobenzoyl)cyclohexan-1-one
CID 114859315
3-(4-fluorobenzoyl)cyclohexan-1-one
CID 79625702
3-(2-bromo-5-chlorobenzoyl)cyclohexan-1-one
CID 79625100
(2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone
CID 130512079
3-(2,3-dimethylbenzoyl)cyclohexan-1-one
CID 79625320
(2-bromo-6-fluorophenyl)-cyclopentylmethanone
CID 114885328
3-[3-(trifluoromethoxy)benzoyl]cyclohexan-1-one
CID 107104941
(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
CID 116568844
1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one
CID 84582258
(2-chloro-6-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784651
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one?
The IUPAC name of 3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one (CID 79624962) is 3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one.
What is the SMILES notation for 3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one?
The canonical SMILES for 3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one is O=C1CCCC(C(=O)c2c(F)cccc2Cl)C1.
What is the InChIKey of 3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one?
The InChIKey is AYVISCUZKORIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFO2/c14-10-5-2-6-11(15)12(10)13(17)8-3-1-4-9(16)7-8/h2,5-6,8H,1,3-4,7H2.
What are the key properties of 3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one?
3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one has a molecular weight of 254.69 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one is sourced from PubChem (CID 79624962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).