3,3-difluoro-N-methylpyrrolidine-1-carboxamide

C6H10F2N2O — CID 116991726

IUPAC3,3-difluoro-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C6H10F2N2O/c1-9-5(11)10-3-2-6(7,8)4-10/h2-4H2,1H3,(H,9,11)
InChIKeyRKOXCPWLXMAVMQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.67
Rot. Bonds

About 3,3-difluoro-N-methylpyrrolidine-1-carboxamide

3,3-difluoro-N-methylpyrrolidine-1-carboxamide (PubChem CID 116991726) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is 3,3-difluoro-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-methylpyrrolidine-1-carboxamide
PubChem CID116991726
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name3,3-difluoro-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C6H10F2N2O/c1-9-5(11)10-3-2-6(7,8)4-10/h2-4H2,1H3,(H,9,11)
InChIKeyRKOXCPWLXMAVMQ-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-methylpyrrolidine-1-carboxamide (CID 116991726) is 3,3-difluoro-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-methylpyrrolidine-1-carboxamide is CNC(=O)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-methylpyrrolidine-1-carboxamide?
The InChIKey is RKOXCPWLXMAVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-9-5(11)10-3-2-6(7,8)4-10/h2-4H2,1H3,(H,9,11).
What are the key properties of 3,3-difluoro-N-methylpyrrolidine-1-carboxamide?
3,3-difluoro-N-methylpyrrolidine-1-carboxamide has a molecular weight of 164.16 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 116991726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).