1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid

C11H10ClFO3 — CID 117363594

IUPAC1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2)cc(F)c1Cl
InChIInChI=1S/C11H10ClFO3/c1-16-8-5-6(4-7(13)9(8)12)11(2-3-11)10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyFOMTZROJWBQMBP-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.60
Rot. Bonds3

About 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid

1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117363594) has the molecular formula C11H10ClFO3 and a molecular weight of 244.65 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117363594
Molecular FormulaC11H10ClFO3
Molecular Weight244.65 g/mol
Exact Mass244.03
IUPAC Name1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2)cc(F)c1Cl
InChIInChI=1S/C11H10ClFO3/c1-16-8-5-6(4-7(13)9(8)12)11(2-3-11)10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyFOMTZROJWBQMBP-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-(3-fluoro-4-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117352802
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784320
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389837
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117474947
1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117333149
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 84811106
1-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]cyclopropane-1-carboxylic acid
CID 117424245
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 117112356
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117411320
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 117363594) is 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1cc(C2(C(=O)O)CC2)cc(F)c1Cl.
What is the InChIKey of 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is FOMTZROJWBQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO3/c1-16-8-5-6(4-7(13)9(8)12)11(2-3-11)10(14)15/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid?
1-(4-chloro-3-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-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117363594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).