4,5-difluoropyrrolidine-3-carboxamide

C5H8F2N2O — CID 69278865

IUPAC4,5-difluoropyrrolidine-3-carboxamide
SMILESNC(=O)C1CNC(F)C1F
InChIInChI=1S/C5H8F2N2O/c6-3-2(5(8)10)1-9-4(3)7/h2-4,9H,1H2,(H2,8,10)
InChIKeyCUDDSDSNQPMHKT-UHFFFAOYSA-N
MW150.13 g/mol
LogP-0.68
Rot. Bonds1

About 4,5-difluoropyrrolidine-3-carboxamide

4,5-difluoropyrrolidine-3-carboxamide (PubChem CID 69278865) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is 4,5-difluoropyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4,5-difluoropyrrolidine-3-carboxamide
PubChem CID69278865
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name4,5-difluoropyrrolidine-3-carboxamide
SMILESNC(=O)C1CNC(F)C1F
InChIInChI=1S/C5H8F2N2O/c6-3-2(5(8)10)1-9-4(3)7/h2-4,9H,1H2,(H2,8,10)
InChIKeyCUDDSDSNQPMHKT-UHFFFAOYSA-N
XLogP-0.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoropyrrolidine-3-carboxamide?
The IUPAC name of 4,5-difluoropyrrolidine-3-carboxamide (CID 69278865) is 4,5-difluoropyrrolidine-3-carboxamide.
What is the SMILES notation for 4,5-difluoropyrrolidine-3-carboxamide?
The canonical SMILES for 4,5-difluoropyrrolidine-3-carboxamide is NC(=O)C1CNC(F)C1F.
What is the InChIKey of 4,5-difluoropyrrolidine-3-carboxamide?
The InChIKey is CUDDSDSNQPMHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O/c6-3-2(5(8)10)1-9-4(3)7/h2-4,9H,1H2,(H2,8,10).
What are the key properties of 4,5-difluoropyrrolidine-3-carboxamide?
4,5-difluoropyrrolidine-3-carboxamide has a molecular weight of 150.13 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoropyrrolidine-3-carboxamide is sourced from PubChem (CID 69278865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).