(2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride

C6H11ClF2N2O — CID 121483140

IUPAC(2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)[C@@H]1CC(F)(F)CN1.Cl
InChIInChI=1S/C6H10F2N2O.ClH/c1-9-5(11)4-2-6(7,8)3-10-4;/h4,10H,2-3H2,1H3,(H,9,11);1H/t4-;/m0./s1
InChIKeyHEMPYAXWVDBTRZ-WCCKRBBISA-N
MW200.62 g/mol
LogP0.15
Rot. Bonds1

About (2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride

(2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 121483140) has the molecular formula C6H11ClF2N2O and a molecular weight of 200.62 g/mol. Its IUPAC name is (2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID121483140
Molecular FormulaC6H11ClF2N2O
Molecular Weight200.62 g/mol
Exact Mass200.05
IUPAC Name(2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)[C@@H]1CC(F)(F)CN1.Cl
InChIInChI=1S/C6H10F2N2O.ClH/c1-9-5(11)4-2-6(7,8)3-10-4;/h4,10H,2-3H2,1H3,(H,9,11);1H/t4-;/m0./s1
InChIKeyHEMPYAXWVDBTRZ-WCCKRBBISA-N
XLogP0.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride (CID 121483140) is (2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride is CNC(=O)[C@@H]1CC(F)(F)CN1.Cl.
What is the InChIKey of (2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HEMPYAXWVDBTRZ-WCCKRBBISA-N. The full InChI is InChI=1S/C6H10F2N2O.ClH/c1-9-5(11)4-2-6(7,8)3-10-4;/h4,10H,2-3H2,1H3,(H,9,11);1H/t4-;/m0./s1.
What are the key properties of (2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride?
(2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 200.62 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 121483140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).