1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone

C12H13FO2 — CID 83808664

IUPAC1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone
SMILESCOc1cccc(F)c1C1(C(C)=O)CC1
InChIInChI=1S/C12H13FO2/c1-8(14)12(6-7-12)11-9(13)4-3-5-10(11)15-2/h3-5H,6-7H2,1-2H3
InChIKeyMJNTUGRAMAJDME-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.45
Rot. Bonds3

About 1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone

1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone (PubChem CID 83808664) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone
PubChem CID83808664
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone
SMILESCOc1cccc(F)c1C1(C(C)=O)CC1
InChIInChI=1S/C12H13FO2/c1-8(14)12(6-7-12)11-9(13)4-3-5-10(11)15-2/h3-5H,6-7H2,1-2H3
InChIKeyMJNTUGRAMAJDME-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-(2,6-difluorophenyl)cyclopropyl]ethanone
CID 83808662
1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone
CID 82284313
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate
CID 170913631
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
CID 82292861
1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171961468
CID 158943354
CID 158943354
1-[2-(fluoromethyl)-6-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117321562
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone (CID 83808664) is 1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone is COc1cccc(F)c1C1(C(C)=O)CC1.
What is the InChIKey of 1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone?
The InChIKey is MJNTUGRAMAJDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-8(14)12(6-7-12)11-9(13)4-3-5-10(11)15-2/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone?
1-[1-(2-fluoro-6-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-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 83808664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).