2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid

C8H9F5O2 — CID 57273310

IUPAC2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESCC1(C(F)F)C(C(=O)O)C1(C)C(F)(F)F
InChIInChI=1S/C8H9F5O2/c1-6(5(9)10)3(4(14)15)7(6,2)8(11,12)13/h3,5H,1-2H3,(H,14,15)
InChIKeyNDYYRZCOHMPJIS-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.54
Rot. Bonds2

About 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid

2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 57273310) has the molecular formula C8H9F5O2 and a molecular weight of 232.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID57273310
Molecular FormulaC8H9F5O2
Molecular Weight232.15 g/mol
Exact Mass232.05
IUPAC Name2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESCC1(C(F)F)C(C(=O)O)C1(C)C(F)(F)F
InChIInChI=1S/C8H9F5O2/c1-6(5(9)10)3(4(14)15)7(6,2)8(11,12)13/h3,5H,1-2H3,(H,14,15)
InChIKeyNDYYRZCOHMPJIS-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)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

2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 88725151
2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid
CID 57248340
2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride
CID 13044733
2-methyl-2-(trifluoromethyl)-1,3-dioxolane-4-carboxylic acid
CID 130020923
2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
CID 57304145
2-bromo-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane-1-carboxylic acid
CID 57041457
(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 58054361
2,2-dimethylspiro[2.4]heptane-1-carboxylic acid
CID 20531773
1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
CID 70920488
1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 118217440
2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 20533205
2,2-bis(2-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 57296782

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid (CID 57273310) is 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid is CC1(C(F)F)C(C(=O)O)C1(C)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is NDYYRZCOHMPJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5O2/c1-6(5(9)10)3(4(14)15)7(6,2)8(11,12)13/h3,5H,1-2H3,(H,14,15).
What are the key properties of 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 232.15 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 57273310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).