2-(difluoromethyl)pyrrolidine-1-carboxylic acid

C6H9F2NO2 — CID 90920147

IUPAC2-(difluoromethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1C(F)F
InChIInChI=1S/C6H9F2NO2/c7-5(8)4-2-1-3-9(4)6(10)11/h4-5H,1-3H2,(H,10,11)
InChIKeyKVURIJFHHBHILG-UHFFFAOYSA-N
MW165.14 g/mol
LogP1.39
Rot. Bonds1

About 2-(difluoromethyl)pyrrolidine-1-carboxylic acid

2-(difluoromethyl)pyrrolidine-1-carboxylic acid (PubChem CID 90920147) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 2-(difluoromethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)pyrrolidine-1-carboxylic acid
PubChem CID90920147
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name2-(difluoromethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1C(F)F
InChIInChI=1S/C6H9F2NO2/c7-5(8)4-2-1-3-9(4)6(10)11/h4-5H,1-3H2,(H,10,11)
InChIKeyKVURIJFHHBHILG-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethyl)pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)pyrrolidine-1-carboxylic acid (CID 90920147) is 2-(difluoromethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KVURIJFHHBHILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-5(8)4-2-1-3-9(4)6(10)11/h4-5H,1-3H2,(H,10,11).
What are the key properties of 2-(difluoromethyl)pyrrolidine-1-carboxylic acid?
2-(difluoromethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90920147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).