2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone

C15H18ClFO — CID 107187410

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone
SMILESCC1(C)CCCC1C(=O)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H18ClFO/c1-15(2)8-4-6-11(15)13(18)9-10-5-3-7-12(17)14(10)16/h3,5,7,11H,4,6,8-9H2,1-2H3
InChIKeyUZWLBQCCFLNTCV-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.42
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone

2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone (PubChem CID 107187410) has the molecular formula C15H18ClFO and a molecular weight of 268.76 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone
PubChem CID107187410
Molecular FormulaC15H18ClFO
Molecular Weight268.76 g/mol
Exact Mass268.10
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone
SMILESCC1(C)CCCC1C(=O)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H18ClFO/c1-15(2)8-4-6-11(15)13(18)9-10-5-3-7-12(17)14(10)16/h3,5,7,11H,4,6,8-9H2,1-2H3
InChIKeyUZWLBQCCFLNTCV-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-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394
2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 112653344
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanone
CID 107186821
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
CID 107179308
2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
CID 112653397
2-(2-chloro-3-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 115983535
1-(1-adamantyl)-2-(2-chloro-3-fluorophenyl)ethanone
CID 115983489
2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
CID 107001810
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone (CID 107187410) is 2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone is CC1(C)CCCC1C(=O)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone?
The InChIKey is UZWLBQCCFLNTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO/c1-15(2)8-4-6-11(15)13(18)9-10-5-3-7-12(17)14(10)16/h3,5,7,11H,4,6,8-9H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)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-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone is sourced from PubChem (CID 107187410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).