2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride

C8H9ClF6O2 — CID 88725151

IUPAC2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCC1(C(F)(F)F)C(C(=O)O)C1(C)C(F)(F)F.Cl
InChIInChI=1S/C8H8F6O2.ClH/c1-5(7(9,10)11)3(4(15)16)6(5,2)8(12,13)14;/h3H,1-2H3,(H,15,16);1H
InChIKeyUYYLPJXFULPPFK-UHFFFAOYSA-N
MW286.60 g/mol
LogP3.26
Rot. Bonds1

About 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride

2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 88725151) has the molecular formula C8H9ClF6O2 and a molecular weight of 286.60 g/mol. Its IUPAC name is 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID88725151
Molecular FormulaC8H9ClF6O2
Molecular Weight286.60 g/mol
Exact Mass286.02
IUPAC Name2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCC1(C(F)(F)F)C(C(=O)O)C1(C)C(F)(F)F.Cl
InChIInChI=1S/C8H8F6O2.ClH/c1-5(7(9,10)11)3(4(15)16)6(5,2)8(12,13)14;/h3H,1-2H3,(H,15,16);1H
InChIKeyUYYLPJXFULPPFK-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.60
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 57273310
2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride
CID 13044733
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
2,2-dimethylspiro[2.4]heptane-1-carboxylic acid
CID 20531773
4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 86775367
1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
CID 70920488
2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid
CID 57248340
2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 20533205
2,2-difluorospiro[2.2]pentane-1-carboxylic acid
CID 136575763
3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 155820000
trans-(1R,3S)-2,2-dimethyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
CID 54572549

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride (CID 88725151) is 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride is CC1(C(F)(F)F)C(C(=O)O)C1(C)C(F)(F)F.Cl.
What is the InChIKey of 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is UYYLPJXFULPPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O2.ClH/c1-5(7(9,10)11)3(4(15)16)6(5,2)8(12,13)14;/h3H,1-2H3,(H,15,16);1H.
What are the key properties of 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 286.60 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 88725151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).