1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride

C6H12ClFN2O — CID 162314319

IUPAC1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CCC(C(N)=O)N1F.Cl
InChIInChI=1S/C6H11FN2O.ClH/c1-4-2-3-5(6(8)10)9(4)7;/h4-5H,2-3H2,1H3,(H2,8,10);1H
InChIKeyZDVDJXGUBWJSBP-UHFFFAOYSA-N
MW182.63 g/mol
LogP0.63
Rot. Bonds1

About 1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride

1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 162314319) has the molecular formula C6H12ClFN2O and a molecular weight of 182.63 g/mol. Its IUPAC name is 1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID162314319
Molecular FormulaC6H12ClFN2O
Molecular Weight182.63 g/mol
Exact Mass182.06
IUPAC Name1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CCC(C(N)=O)N1F.Cl
InChIInChI=1S/C6H11FN2O.ClH/c1-4-2-3-5(6(8)10)9(4)7;/h4-5H,2-3H2,1H3,(H2,8,10);1H
InChIKeyZDVDJXGUBWJSBP-UHFFFAOYSA-N
XLogP0.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.63
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride (CID 162314319) is 1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride is CC1CCC(C(N)=O)N1F.Cl.
What is the InChIKey of 1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZDVDJXGUBWJSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O.ClH/c1-4-2-3-5(6(8)10)9(4)7;/h4-5H,2-3H2,1H3,(H2,8,10);1H.
What are the key properties of 1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride?
1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 182.63 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 162314319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).