1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid

C10H7F3O2 — CID 83412613

IUPAC1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C10H7F3O2/c11-5-3-6(12)8(7(13)4-5)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyWTENWSPICSDYBF-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.22
Rot. Bonds2

About 1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid

1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 83412613) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID83412613
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C10H7F3O2/c11-5-3-6(12)8(7(13)4-5)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyWTENWSPICSDYBF-UHFFFAOYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-carboxycyclobutyl)-3,5-difluorobenzoic acid
CID 117393397
1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393686
1-(2-amino-3,5-difluorophenyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 106702449
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337093
1-(3-bromo-2,5-difluoro-6-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117472822
1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117363584
1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337097
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 84811106
1-(2-chloro-5-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 84802653
1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393688
1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299943

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid (CID 83412613) is 1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2c(F)cc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is WTENWSPICSDYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c11-5-3-6(12)8(7(13)4-5)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15).
What are the key properties of 1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid?
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 216.16 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83412613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).