1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid

C10H7ClF2O2 — CID 117337097

IUPAC1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)cc(Cl)c2F)CC1
InChIInChI=1S/C10H7ClF2O2/c11-7-4-5(12)3-6(8(7)13)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyYJIMGIWMUGGAGQ-UHFFFAOYSA-N
MW232.61 g/mol
LogP2.73
Rot. Bonds2

About 1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid

1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 117337097) has the molecular formula C10H7ClF2O2 and a molecular weight of 232.61 g/mol. Its IUPAC name is 1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID117337097
Molecular FormulaC10H7ClF2O2
Molecular Weight232.61 g/mol
Exact Mass232.01
IUPAC Name1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)cc(Cl)c2F)CC1
InChIInChI=1S/C10H7ClF2O2/c11-7-4-5(12)3-6(8(7)13)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyYJIMGIWMUGGAGQ-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'}

Analyze 1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 117329375
1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363591
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 117112356
1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117411320
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299943
4-(2-chloro-4-fluorophenyl)oxane-4-carboxylic acid
CID 63033334
1-(5-fluoro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117352658
1-(5-chloro-2-fluoro-3-methylphenyl)cyclobutane-1-carboxylic acid
CID 84801765
1-(2-amino-3,5-difluorophenyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 106702449

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid (CID 117337097) is 1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(F)cc(Cl)c2F)CC1.
What is the InChIKey of 1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is YJIMGIWMUGGAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2O2/c11-7-4-5(12)3-6(8(7)13)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15).
What are the key properties of 1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid?
1-(3-chloro-2,5-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-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117337097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).