2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone

C15H18ClFO — CID 114853742

IUPAC2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C15H18ClFO/c1-10-3-2-4-12(7-10)15(18)8-11-5-6-13(16)9-14(11)17/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyRRGXDDFLMMLVAF-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.42
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone

2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone (PubChem CID 114853742) has the molecular formula C15H18ClFO and a molecular weight of 268.76 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
PubChem CID114853742
Molecular FormulaC15H18ClFO
Molecular Weight268.76 g/mol
Exact Mass268.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C15H18ClFO/c1-10-3-2-4-12(7-10)15(18)8-11-5-6-13(16)9-14(11)17/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyRRGXDDFLMMLVAF-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 82802600
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402969
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone
CID 64560411
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409929
2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 64740615
1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863391
2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409366
4-(4-chloro-2-fluorophenyl)-1-cyclopropylbutan-1-one
CID 114859961

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone (CID 114853742) is 2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone is CC1CCCC(C(=O)Cc2ccc(Cl)cc2F)C1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone?
The InChIKey is RRGXDDFLMMLVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO/c1-10-3-2-4-12(7-10)15(18)8-11-5-6-13(16)9-14(11)17/h5-6,9-10,12H,2-4,7-8H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone?
2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone has a molecular weight of 268.76 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone is sourced from PubChem (CID 114853742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).