1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid

C10H7F3O3 — CID 84795239

IUPAC1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)c(F)c(F)c2O)CC1
InChIInChI=1S/C10H7F3O3/c11-5-3-4(8(14)7(13)6(5)12)10(1-2-10)9(15)16/h3,14H,1-2H2,(H,15,16)
InChIKeyYTMHJKSKFGQEQP-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.93
Rot. Bonds2

About 1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid

1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 84795239) has the molecular formula C10H7F3O3 and a molecular weight of 232.16 g/mol. Its IUPAC name is 1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID84795239
Molecular FormulaC10H7F3O3
Molecular Weight232.16 g/mol
Exact Mass232.03
IUPAC Name1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)c(F)c(F)c2O)CC1
InChIInChI=1S/C10H7F3O3/c11-5-3-4(8(14)7(13)6(5)12)10(1-2-10)9(15)16/h3,14H,1-2H2,(H,15,16)
InChIKeyYTMHJKSKFGQEQP-UHFFFAOYSA-N
XLogP1.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 117112356
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504
1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299943
6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
CID 84777063
1-(4-fluoro-3-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84789644
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466689
1-(3-chloro-2,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 117114085
1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117437969

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid (CID 84795239) is 1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(F)c(F)c(F)c2O)CC1.
What is the InChIKey of 1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is YTMHJKSKFGQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O3/c11-5-3-4(8(14)7(13)6(5)12)10(1-2-10)9(15)16/h3,14H,1-2H2,(H,15,16).
What are the key properties of 1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid?
1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 232.16 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84795239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).