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

C11H10ClFO2 — CID 117329375

IUPAC1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1c(Cl)cc(F)cc1C1(C(=O)O)CC1
InChIInChI=1S/C11H10ClFO2/c1-6-8(4-7(13)5-9(6)12)11(2-3-11)10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyGHDGFGDFAVMAFZ-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.90
Rot. Bonds2

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

1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117329375) has the molecular formula C11H10ClFO2 and a molecular weight of 228.65 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117329375
Molecular FormulaC11H10ClFO2
Molecular Weight228.65 g/mol
Exact Mass228.04
IUPAC Name1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1c(Cl)cc(F)cc1C1(C(=O)O)CC1
InChIInChI=1S/C11H10ClFO2/c1-6-8(4-7(13)5-9(6)12)11(2-3-11)10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyGHDGFGDFAVMAFZ-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337097
1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299943
1-(3-bromo-5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117462812
1-(3-chloro-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117390007
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(4-fluoro-3-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84789644
1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117363584
1-(5-fluoro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117352658
1-(2-amino-3,5-difluorophenyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 106702449
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117400321
1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117411320

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid (CID 117329375) is 1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid is Cc1c(Cl)cc(F)cc1C1(C(=O)O)CC1.
What is the InChIKey of 1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is GHDGFGDFAVMAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO2/c1-6-8(4-7(13)5-9(6)12)11(2-3-11)10(14)15/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid?
1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 228.65 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117329375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).