1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone

C12H13FO2 — CID 82283649

IUPAC1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
SMILESCOc1ccc(C2(C(C)=O)CC2)cc1F
InChIInChI=1S/C12H13FO2/c1-8(14)12(5-6-12)9-3-4-11(15-2)10(13)7-9/h3-4,7H,5-6H2,1-2H3
InChIKeyQMTVKRIQUWHTHX-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.45
Rot. Bonds3

About 1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone

1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone (PubChem CID 82283649) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
PubChem CID82283649
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
SMILESCOc1ccc(C2(C(C)=O)CC2)cc1F
InChIInChI=1S/C12H13FO2/c1-8(14)12(5-6-12)9-3-4-11(15-2)10(13)7-9/h3-4,7H,5-6H2,1-2H3
InChIKeyQMTVKRIQUWHTHX-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid
CID 95484471
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
CID 116844569
1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone
CID 83808664
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone
CID 117046703
1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone
CID 117046363
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
CID 83688403
N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 123914370
methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
CID 90298966

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone (CID 82283649) is 1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone is COc1ccc(C2(C(C)=O)CC2)cc1F.
What is the InChIKey of 1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone?
The InChIKey is QMTVKRIQUWHTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-8(14)12(5-6-12)9-3-4-11(15-2)10(13)7-9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone?
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone has a molecular weight of 208.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 82283649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).