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

C12H12ClFO — CID 112653355

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
SMILESCC1CC1C(=O)Cc1cccc(F)c1Cl
InChIInChI=1S/C12H12ClFO/c1-7-5-9(7)11(15)6-8-3-2-4-10(14)12(8)13/h2-4,7,9H,5-6H2,1H3
InChIKeyHSGKUMCIJMDXJM-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.25
Rot. Bonds3

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

2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone (PubChem CID 112653355) has the molecular formula C12H12ClFO and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
PubChem CID112653355
Molecular FormulaC12H12ClFO
Molecular Weight226.68 g/mol
Exact Mass226.06
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
SMILESCC1CC1C(=O)Cc1cccc(F)c1Cl
InChIInChI=1S/C12H12ClFO/c1-7-5-9(7)11(15)6-8-3-2-4-10(14)12(8)13/h2-4,7,9H,5-6H2,1H3
InChIKeyHSGKUMCIJMDXJM-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394
2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 65420161
2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 112653344
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone
CID 107187410
2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609666
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 112652013
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655
1-(1-adamantyl)-2-(2-chloro-3-fluorophenyl)ethanone
CID 115983489
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one
CID 112653367

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone (CID 112653355) is 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone is CC1CC1C(=O)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone?
The InChIKey is HSGKUMCIJMDXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO/c1-7-5-9(7)11(15)6-8-3-2-4-10(14)12(8)13/h2-4,7,9H,5-6H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone has a molecular weight of 226.68 g/mol, XLogP of 3.25, 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-methylcyclopropyl)ethanone is sourced from PubChem (CID 112653355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).