1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone

C12H12ClFO — CID 106797011

IUPAC1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C12H12ClFO/c1-8(15)12(4-5-12)7-9-2-3-10(13)6-11(9)14/h2-3,6H,4-5,7H2,1H3
InChIKeyUMMGNVKJBQGLSW-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.39
Rot. Bonds3

About 1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone

1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone (PubChem CID 106797011) has the molecular formula C12H12ClFO and a molecular weight of 226.68 g/mol. Its IUPAC name is 1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone
PubChem CID106797011
Molecular FormulaC12H12ClFO
Molecular Weight226.68 g/mol
Exact Mass226.06
IUPAC Name1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C12H12ClFO/c1-8(15)12(4-5-12)7-9-2-3-10(13)6-11(9)14/h2-3,6H,4-5,7H2,1H3
InChIKeyUMMGNVKJBQGLSW-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
CID 82293557
1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone
CID 14700145
3-[(4-chloro-2-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 114851096
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate
CID 116929823
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
CID 114861894
3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 114860136
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
CID 114852550
4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone (CID 106797011) is 1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone is CC(=O)C1(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone?
The InChIKey is UMMGNVKJBQGLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO/c1-8(15)12(4-5-12)7-9-2-3-10(13)6-11(9)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone?
1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone has a molecular weight of 226.68 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 106797011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).