3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid

C6H7F2NO2 — CID 155390220

IUPAC3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(C=C(F)F)C1
InChIInChI=1S/C6H7F2NO2/c7-5(8)1-4-2-9(3-4)6(10)11/h1,4H,2-3H2,(H,10,11)
InChIKeyQUIDOVBNDROMKZ-UHFFFAOYSA-N
MW163.12 g/mol
LogP1.38
Rot. Bonds1

About 3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid

3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid (PubChem CID 155390220) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is 3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid
PubChem CID155390220
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(C=C(F)F)C1
InChIInChI=1S/C6H7F2NO2/c7-5(8)1-4-2-9(3-4)6(10)11/h1,4H,2-3H2,(H,10,11)
InChIKeyQUIDOVBNDROMKZ-UHFFFAOYSA-N
XLogP1.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid (CID 155390220) is 3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid is O=C(O)N1CC(C=C(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid?
The InChIKey is QUIDOVBNDROMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c7-5(8)1-4-2-9(3-4)6(10)11/h1,4H,2-3H2,(H,10,11).
What are the key properties of 3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid?
3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid has a molecular weight of 163.12 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethenyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 155390220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).