1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid

C10H6ClF3O2 — CID 117112356

IUPAC1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)c(Cl)c(F)c2F)CC1
InChIInChI=1S/C10H6ClF3O2/c11-6-5(12)3-4(7(13)8(6)14)10(1-2-10)9(15)16/h3H,1-2H2,(H,15,16)
InChIKeyWUXPUMHLZVGINN-UHFFFAOYSA-N
MW250.60 g/mol
LogP2.87
Rot. Bonds2

About 1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid

1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 117112356) has the molecular formula C10H6ClF3O2 and a molecular weight of 250.60 g/mol. Its IUPAC name is 1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID117112356
Molecular FormulaC10H6ClF3O2
Molecular Weight250.60 g/mol
Exact Mass250.00
IUPAC Name1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)c(Cl)c(F)c2F)CC1
InChIInChI=1S/C10H6ClF3O2/c11-6-5(12)3-4(7(13)8(6)14)10(1-2-10)9(15)16/h3H,1-2H2,(H,15,16)
InChIKeyWUXPUMHLZVGINN-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.60
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 117114085
1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337097
1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117411320
1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84795239
4-(1-carboxycyclopentyl)-2,3,6-trifluorobenzoic acid
CID 117465474
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363594
1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363591
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-(5-chloro-2-fluoro-3-methylphenyl)cyclobutane-1-carboxylic acid
CID 84801765

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid (CID 117112356) is 1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(F)c(Cl)c(F)c2F)CC1.
What is the InChIKey of 1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is WUXPUMHLZVGINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3O2/c11-6-5(12)3-4(7(13)8(6)14)10(1-2-10)9(15)16/h3H,1-2H2,(H,15,16).
What are the key properties of 1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid?
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 250.60 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117112356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).