2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid

C5H3F5O2 — CID 58388253

IUPAC2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC1(F)F
InChIInChI=1S/C5H3F5O2/c6-4(7)1-3(4,2(11)12)5(8,9)10/h1H2,(H,11,12)
InChIKeyZSRSESQCSMJECD-UHFFFAOYSA-N
MW190.07 g/mol
LogP1.66
Rot. Bonds1

About 2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid

2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 58388253) has the molecular formula C5H3F5O2 and a molecular weight of 190.07 g/mol. Its IUPAC name is 2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID58388253
Molecular FormulaC5H3F5O2
Molecular Weight190.07 g/mol
Exact Mass190.01
IUPAC Name2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC1(F)F
InChIInChI=1S/C5H3F5O2/c6-4(7)1-3(4,2(11)12)5(8,9)10/h1H2,(H,11,12)
InChIKeyZSRSESQCSMJECD-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116
[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]methanol
CID 58388254
1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 135397437
1-cyano-2,2-difluorocyclopropane-1-carboxylic acid
CID 45084701
4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid
CID 86017593
carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane
CID 70402494
silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate
CID 166063775
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
2,2-difluoro-1-methoxycarbonylcyclopropane-1-carboxylic acid
CID 54275810
6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 82400684
2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 167732083
4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid
CID 167718059

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid (CID 58388253) is 2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(F)(F)F)CC1(F)F.
What is the InChIKey of 2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZSRSESQCSMJECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O2/c6-4(7)1-3(4,2(11)12)5(8,9)10/h1H2,(H,11,12).
What are the key properties of 2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 190.07 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 58388253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).