(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone

C15H18ClFO — CID 64739429

IUPAC(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2ccc(Cl)cc2F)CC1C
InChIInChI=1S/C15H18ClFO/c1-9-3-4-11(7-10(9)2)15(18)13-6-5-12(16)8-14(13)17/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyRHZLKJLSHZVDHB-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.73
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone

(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone (PubChem CID 64739429) has the molecular formula C15H18ClFO and a molecular weight of 268.76 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
PubChem CID64739429
Molecular FormulaC15H18ClFO
Molecular Weight268.76 g/mol
Exact Mass268.10
IUPAC Name(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2ccc(Cl)cc2F)CC1C
InChIInChI=1S/C15H18ClFO/c1-9-3-4-11(7-10(9)2)15(18)13-6-5-12(16)8-14(13)17/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyRHZLKJLSHZVDHB-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114026831
(2-bromo-3,4-difluorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 107538024
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
(5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975403
1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone
CID 23048180
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
(3-chloro-4-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
CID 105105379
3-(4-chloro-2-fluorobenzoyl)cyclohexan-1-one
CID 114859315
(4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592268
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115791460
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 116517023

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone (CID 64739429) is (4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone is CC1CCC(C(=O)c2ccc(Cl)cc2F)CC1C.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone?
The InChIKey is RHZLKJLSHZVDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO/c1-9-3-4-11(7-10(9)2)15(18)13-6-5-12(16)8-14(13)17/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone?
(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone has a molecular weight of 268.76 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 64739429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).