1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid

C11H10ClFO3 — CID 117363591

IUPAC1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(Cl)c(F)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C11H10ClFO3/c1-16-6-4-7(9(13)8(12)5-6)11(2-3-11)10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyKNBZAYHINUXVOA-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.60
Rot. Bonds3

About 1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid

1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117363591) has the molecular formula C11H10ClFO3 and a molecular weight of 244.65 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117363591
Molecular FormulaC11H10ClFO3
Molecular Weight244.65 g/mol
Exact Mass244.03
IUPAC Name1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(Cl)c(F)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C11H10ClFO3/c1-16-6-4-7(9(13)8(12)5-6)11(2-3-11)10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyKNBZAYHINUXVOA-UHFFFAOYSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117411320
1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337097
1-(3-chloro-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117390007
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
1-(3-chloro-2,5-difluoro-6-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117469702
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 117112356
1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458267
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117357088
1-(4-chloro-3-fluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117434480
1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 105425975
1-(4-fluoro-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799155

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 117363591) is 1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1cc(Cl)c(F)c(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is KNBZAYHINUXVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO3/c1-16-6-4-7(9(13)8(12)5-6)11(2-3-11)10(14)15/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 244.65 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117363591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).