2-(difluoromethyl)pyrrolidine-2-carboxamide

C6H10F2N2O — CID 68735936

IUPAC2-(difluoromethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1(C(F)F)CCCN1
InChIInChI=1S/C6H10F2N2O/c7-4(8)6(5(9)11)2-1-3-10-6/h4,10H,1-3H2,(H2,9,11)
InChIKeyVKXBVSPUZSWKJQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.14
Rot. Bonds2

About 2-(difluoromethyl)pyrrolidine-2-carboxamide

2-(difluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 68735936) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(difluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)pyrrolidine-2-carboxamide
PubChem CID68735936
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name2-(difluoromethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1(C(F)F)CCCN1
InChIInChI=1S/C6H10F2N2O/c7-4(8)6(5(9)11)2-1-3-10-6/h4,10H,1-3H2,(H2,9,11)
InChIKeyVKXBVSPUZSWKJQ-UHFFFAOYSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-(difluoromethyl)pyrrolidine-2-carboxamide (CID 68735936) is 2-(difluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-(difluoromethyl)pyrrolidine-2-carboxamide is NC(=O)C1(C(F)F)CCCN1.
What is the InChIKey of 2-(difluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is VKXBVSPUZSWKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c7-4(8)6(5(9)11)2-1-3-10-6/h4,10H,1-3H2,(H2,9,11).
What are the key properties of 2-(difluoromethyl)pyrrolidine-2-carboxamide?
2-(difluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 164.16 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 68735936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).