(1S)-2,2-difluorocyclopropane-1-carboxylic acid

C4H4F2O2 — CID 7171884

IUPAC(1S)-2,2-difluorocyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC1(F)F
InChIInChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)/t2-/m0/s1
InChIKeyKMLMOVWSQPHQME-REOHCLBHSA-N
MW122.07 g/mol
LogP0.73
Rot. Bonds1

About (1S)-2,2-difluorocyclopropane-1-carboxylic acid

(1S)-2,2-difluorocyclopropane-1-carboxylic acid (PubChem CID 7171884) has the molecular formula C4H4F2O2 and a molecular weight of 122.07 g/mol. Its IUPAC name is (1S)-2,2-difluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2,2-difluorocyclopropane-1-carboxylic acid
PubChem CID7171884
Molecular FormulaC4H4F2O2
Molecular Weight122.07 g/mol
Exact Mass122.02
IUPAC Name(1S)-2,2-difluorocyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC1(F)F
InChIInChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)/t2-/m0/s1
InChIKeyKMLMOVWSQPHQME-REOHCLBHSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluorocyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-2,2-difluorocyclopropane-1-carboxylic acid (CID 7171884) is (1S)-2,2-difluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-2,2-difluorocyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-2,2-difluorocyclopropane-1-carboxylic acid is O=C(O)[C@@H]1CC1(F)F.
What is the InChIKey of (1S)-2,2-difluorocyclopropane-1-carboxylic acid?
The InChIKey is KMLMOVWSQPHQME-REOHCLBHSA-N. The full InChI is InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)/t2-/m0/s1.
What are the key properties of (1S)-2,2-difluorocyclopropane-1-carboxylic acid?
(1S)-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 (1S)-2,2-difluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 7171884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).