2,2-difluorocyclopropane-1-carboxylic acid

C4H4F2O2 — CID 2782823

IUPAC2,2-difluorocyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1(F)F
InChIInChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKeyKMLMOVWSQPHQME-UHFFFAOYSA-N
MW122.07 g/mol
LogP0.73
Rot. Bonds1

About 2,2-difluorocyclopropane-1-carboxylic acid

2,2-difluorocyclopropane-1-carboxylic acid (PubChem CID 2782823) has the molecular formula C4H4F2O2 and a molecular weight of 122.07 g/mol. Its IUPAC name is 2,2-difluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-difluorocyclopropane-1-carboxylic acid
PubChem CID2782823
Molecular FormulaC4H4F2O2
Molecular Weight122.07 g/mol
Exact Mass122.02
IUPAC Name2,2-difluorocyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1(F)F
InChIInChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKeyKMLMOVWSQPHQME-UHFFFAOYSA-N
XLogP0.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.07
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopropanecarboxylic acid
CID 15655
4,4,4-Trifluoro-2-methylbutanoic acid
CID 2775536
4,4,4-Trifluoro-3-methylbutanoic acid
CID 136174
4,4,4-Trifluorobutanoic acid
CID 2777085
2(2H-Perfluoro-2-propyl)acetic acid
CID 2782190
1-Fluorocyclopropane-1-carboxylic acid
CID 9793715
cis-2-Fluorocyclopropanecarboxylic acid
CID 9793716
(1R,2R)-2-fluorocyclopropane-1-carboxylic acid
CID 10011855
2-(Trifluoromethyl)butanoic acid
CID 17930807
1-(Difluoromethyl)cyclopropane-1-carboxylic acid
CID 68800415
rac-(1R,2S)-2-fluorocyclopropane-1-carboxylic acid
CID 10103129
2-Fluorocyclopropane-1-carboxylic acid
CID 10125050

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-difluorocyclopropane-1-carboxylic acid (CID 2782823) is 2,2-difluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-difluorocyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-difluorocyclopropane-1-carboxylic acid is O=C(O)C1CC1(F)F.
What is the InChIKey of 2,2-difluorocyclopropane-1-carboxylic acid?
The InChIKey is KMLMOVWSQPHQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8).
What are the key properties of 2,2-difluorocyclopropane-1-carboxylic acid?
2,2-difluorocyclopropane-1-carboxylic acid has a molecular weight of 122.07 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 2782823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).