3-(difluoromethyl)azetidine-3-carboxylic acid

C5H7F2NO2 — CID 105429493

IUPAC3-(difluoromethyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)F)CNC1
InChIInChI=1S/C5H7F2NO2/c6-3(7)5(4(9)10)1-8-2-5/h3,8H,1-2H2,(H,9,10)
InChIKeyLWVBBVVGBRJPRE-UHFFFAOYSA-N
MW151.11 g/mol
LogP-0.07
Rot. Bonds2

About 3-(difluoromethyl)azetidine-3-carboxylic acid

3-(difluoromethyl)azetidine-3-carboxylic acid (PubChem CID 105429493) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 3-(difluoromethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)azetidine-3-carboxylic acid
PubChem CID105429493
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name3-(difluoromethyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)F)CNC1
InChIInChI=1S/C5H7F2NO2/c6-3(7)5(4(9)10)1-8-2-5/h3,8H,1-2H2,(H,9,10)
InChIKeyLWVBBVVGBRJPRE-UHFFFAOYSA-N
XLogP-0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)azetidine-3-carboxylic acid (CID 105429493) is 3-(difluoromethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)azetidine-3-carboxylic acid is O=C(O)C1(C(F)F)CNC1.
What is the InChIKey of 3-(difluoromethyl)azetidine-3-carboxylic acid?
The InChIKey is LWVBBVVGBRJPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-3(7)5(4(9)10)1-8-2-5/h3,8H,1-2H2,(H,9,10).
What are the key properties of 3-(difluoromethyl)azetidine-3-carboxylic acid?
3-(difluoromethyl)azetidine-3-carboxylic acid has a molecular weight of 151.11 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 105429493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).