2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone

C15H16ClFO — CID 103451060

IUPAC2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
SMILESCC1CC=C(C(=O)Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H16ClFO/c1-10-2-4-11(5-3-10)15(18)8-12-6-7-13(16)9-14(12)17/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKeyPJOAHZAEKHEXHS-UHFFFAOYSA-N
MW266.74 g/mol
LogP4.34
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone

2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone (PubChem CID 103451060) has the molecular formula C15H16ClFO and a molecular weight of 266.74 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
PubChem CID103451060
Molecular FormulaC15H16ClFO
Molecular Weight266.74 g/mol
Exact Mass266.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
SMILESCC1CC=C(C(=O)Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H16ClFO/c1-10-2-4-11(5-3-10)15(18)8-12-6-7-13(16)9-14(12)17/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKeyPJOAHZAEKHEXHS-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
CID 114166027
1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 103451108
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
(4-methylcyclohexen-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 103451241
2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 114853742
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
3-methyl-1-(4-methylcyclohexen-1-yl)but-3-en-1-one
CID 103451253
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 103448039
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone (CID 103451060) is 2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone is CC1CC=C(C(=O)Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone?
The InChIKey is PJOAHZAEKHEXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFO/c1-10-2-4-11(5-3-10)15(18)8-12-6-7-13(16)9-14(12)17/h4,6-7,9-10H,2-3,5,8H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone?
2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone has a molecular weight of 266.74 g/mol, XLogP of 4.34, 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-(4-methylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 103451060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).