2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone

C12H12ClFO — CID 103048097

IUPAC2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone
SMILESCC1(C(=O)Cc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C12H12ClFO/c1-12(4-5-12)11(15)7-8-6-9(13)2-3-10(8)14/h2-3,6H,4-5,7H2,1H3
InChIKeyXCXWCCXQOZBKSY-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.39
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone

2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone (PubChem CID 103048097) has the molecular formula C12H12ClFO and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone
PubChem CID103048097
Molecular FormulaC12H12ClFO
Molecular Weight226.68 g/mol
Exact Mass226.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone
SMILESCC1(C(=O)Cc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C12H12ClFO/c1-12(4-5-12)11(15)7-8-6-9(13)2-3-10(8)14/h2-3,6H,4-5,7H2,1H3
InChIKeyXCXWCCXQOZBKSY-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-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052471
1-(1-adamantyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047976
1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114866930
2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone
CID 114968454
2-(5-chloro-2-fluorophenyl)-N'-methylacetohydrazide
CID 116846232
2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid
CID 82484267
3-(azetidin-3-yl)-1-(5-chloro-2-fluorophenyl)butan-2-one
CID 103052482
2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone
CID 114973866
1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone
CID 116601293
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
1-(5-chloro-2-fluorophenyl)-3-methoxybutan-2-one
CID 103048080
1-[(5-chloro-2-fluorophenyl)methyl]-3,3-dimethyl-2-oxocyclopentane-1-carbonitrile
CID 103051034

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone (CID 103048097) is 2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone is CC1(C(=O)Cc2cc(Cl)ccc2F)CC1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone?
The InChIKey is XCXWCCXQOZBKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO/c1-12(4-5-12)11(15)7-8-6-9(13)2-3-10(8)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone?
2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)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 2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone is sourced from PubChem (CID 103048097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).