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

C15H18ClFO — CID 82802600

IUPAC2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C15H18ClFO/c1-10-4-2-5-11(8-10)14(18)9-12-6-3-7-13(16)15(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyDPCZVJKYTIFZKJ-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.42
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone (PubChem CID 82802600) has the molecular formula C15H18ClFO and a molecular weight of 268.76 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
PubChem CID82802600
Molecular FormulaC15H18ClFO
Molecular Weight268.76 g/mol
Exact Mass268.10
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C15H18ClFO/c1-10-4-2-5-11(8-10)14(18)9-12-6-3-7-13(16)15(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyDPCZVJKYTIFZKJ-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-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655
2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 114853742
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865627
2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 82802592
2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 102865639
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone
CID 102865083
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409929
2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409366

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone (CID 82802600) is 2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone is CC1CCCC(C(=O)Cc2cccc(Cl)c2F)C1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone?
The InChIKey is DPCZVJKYTIFZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO/c1-10-4-2-5-11(8-10)14(18)9-12-6-3-7-13(16)15(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone?
2-(3-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-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone is sourced from PubChem (CID 82802600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).