2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid

C11H11FO3 — CID 67289393

IUPAC2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2CC2C(=O)O)c(F)c1
InChIInChI=1S/C11H11FO3/c1-15-6-2-3-7(10(12)4-6)8-5-9(8)11(13)14/h2-4,8-9H,5H2,1H3,(H,13,14)
InChIKeyAXKYOFQRZLIHLR-UHFFFAOYSA-N
MW210.20 g/mol
LogP2.02
Rot. Bonds3

About 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid

2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 67289393) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID67289393
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2CC2C(=O)O)c(F)c1
InChIInChI=1S/C11H11FO3/c1-15-6-2-3-7(10(12)4-6)8-5-9(8)11(13)14/h2-4,8-9H,5H2,1H3,(H,13,14)
InChIKeyAXKYOFQRZLIHLR-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 158316657
(3S,4R)-1-tert-butyl-4-(2-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 59655941
(3S,4R)-1-tert-butyl-4-(2-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 139017374
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
trans-(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299452
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-sulfonyl chloride
CID 87574652
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
trans-(1S,2S)-2-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 96658212
[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid
CID 134347497

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 67289393) is 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc(C2CC2C(=O)O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is AXKYOFQRZLIHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-15-6-2-3-7(10(12)4-6)8-5-9(8)11(13)14/h2-4,8-9H,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 210.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67289393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).