3,3-difluoropyrrolidine-1-carboxylic acid

C5H7F2NO2 — CID 22103693

IUPAC3,3-difluoropyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)(F)C1
InChIInChI=1S/C5H7F2NO2/c6-5(7)1-2-8(3-5)4(9)10/h1-3H2,(H,9,10)
InChIKeyXXLWCMTWTUJSIJ-UHFFFAOYSA-N
MW151.11 g/mol
LogP1.01
Rot. Bonds

About 3,3-difluoropyrrolidine-1-carboxylic acid

3,3-difluoropyrrolidine-1-carboxylic acid (PubChem CID 22103693) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 3,3-difluoropyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoropyrrolidine-1-carboxylic acid
PubChem CID22103693
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name3,3-difluoropyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)(F)C1
InChIInChI=1S/C5H7F2NO2/c6-5(7)1-2-8(3-5)4(9)10/h1-3H2,(H,9,10)
InChIKeyXXLWCMTWTUJSIJ-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropyrrolidine-1-carboxylic acid?
The IUPAC name of 3,3-difluoropyrrolidine-1-carboxylic acid (CID 22103693) is 3,3-difluoropyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoropyrrolidine-1-carboxylic acid?
The canonical SMILES for 3,3-difluoropyrrolidine-1-carboxylic acid is O=C(O)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoropyrrolidine-1-carboxylic acid?
The InChIKey is XXLWCMTWTUJSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-5(7)1-2-8(3-5)4(9)10/h1-3H2,(H,9,10).
What are the key properties of 3,3-difluoropyrrolidine-1-carboxylic acid?
3,3-difluoropyrrolidine-1-carboxylic acid has a molecular weight of 151.11 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22103693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).