1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid

C10H7ClF2O2 — CID 117337093

IUPAC1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)ccc(F)c2Cl)CC1
InChIInChI=1S/C10H7ClF2O2/c11-8-6(13)2-1-5(12)7(8)10(3-4-10)9(14)15/h1-2H,3-4H2,(H,14,15)
InChIKeyJPMFHGPTFSFOAO-UHFFFAOYSA-N
MW232.61 g/mol
LogP2.73
Rot. Bonds2

About 1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid

1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 117337093) has the molecular formula C10H7ClF2O2 and a molecular weight of 232.61 g/mol. Its IUPAC name is 1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID117337093
Molecular FormulaC10H7ClF2O2
Molecular Weight232.61 g/mol
Exact Mass232.01
IUPAC Name1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)ccc(F)c2Cl)CC1
InChIInChI=1S/C10H7ClF2O2/c11-8-6(13)2-1-5(12)7(8)10(3-4-10)9(14)15/h1-2H,3-4H2,(H,14,15)
InChIKeyJPMFHGPTFSFOAO-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.61
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide
CID 141447851
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117363611
1-(2,6-difluoro-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117352864
1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117363584
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 83412613
1-(2-chloro-3,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84789863
1-(2-chloro-5-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 84802653
1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
CID 117325508
1-(6-fluoro-2,3-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388633
1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid
CID 117114219
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 117112356

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid (CID 117337093) is 1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2c(F)ccc(F)c2Cl)CC1.
What is the InChIKey of 1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is JPMFHGPTFSFOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2O2/c11-8-6(13)2-1-5(12)7(8)10(3-4-10)9(14)15/h1-2H,3-4H2,(H,14,15).
What are the key properties of 1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid?
1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 232.61 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117337093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).