2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid

C9H13F3O2 — CID 57304145

IUPAC2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(C)CC(F)(F)F
InChIInChI=1S/C9H13F3O2/c1-7(2)5(6(13)14)8(7,3)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,14)
InChIKeySMDCLAVUGJPMMI-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.69
Rot. Bonds2

About 2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid

2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid (PubChem CID 57304145) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
PubChem CID57304145
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(C)CC(F)(F)F
InChIInChI=1S/C9H13F3O2/c1-7(2)5(6(13)14)8(7,3)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,14)
InChIKeySMDCLAVUGJPMMI-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 88725151
2-bromo-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane-1-carboxylic acid
CID 57041457
1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
CID 70920488
2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 57273310
2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 20533205
trans-(1R,3S)-2,2-dimethyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]cyclopropane-1-carboxylic acid
CID 66824291
2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79357973
2,2-dimethylspiro[2.4]heptane-1-carboxylic acid
CID 20531773
2,2-dimethyl-3-[(Z)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopropane-1-carboxylic acid
CID 70489261
trans-(1R,2S)-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
CID 178190667
2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid
CID 57248340
2,2-bis(2-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 57296782

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid (CID 57304145) is 2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1(C)CC(F)(F)F.
What is the InChIKey of 2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid?
The InChIKey is SMDCLAVUGJPMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-7(2)5(6(13)14)8(7,3)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,14).
What are the key properties of 2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid?
2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 57304145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).