(2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

C9H15ClF2N2O — CID 155295075

IUPAC(2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCC1)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C9H14F2N2O.ClH/c10-9(11)4-7(12-5-9)8(14)13-6-2-1-3-6;/h6-7,12H,1-5H2,(H,13,14);1H/t7-;/m0./s1
InChIKeyKHJGNQYJFPJLPH-FJXQXJEOSA-N
MW240.68 g/mol
LogP1.07
Rot. Bonds2

About (2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

(2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 155295075) has the molecular formula C9H15ClF2N2O and a molecular weight of 240.68 g/mol. Its IUPAC name is (2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID155295075
Molecular FormulaC9H15ClF2N2O
Molecular Weight240.68 g/mol
Exact Mass240.08
IUPAC Name(2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCC1)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C9H14F2N2O.ClH/c10-9(11)4-7(12-5-9)8(14)13-6-2-1-3-6;/h6-7,12H,1-5H2,(H,13,14);1H/t7-;/m0./s1
InChIKeyKHJGNQYJFPJLPH-FJXQXJEOSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.68
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (CID 155295075) is (2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCC1)[C@@H]1CC(F)(F)CN1.
What is the InChIKey of (2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is KHJGNQYJFPJLPH-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H14F2N2O.ClH/c10-9(11)4-7(12-5-9)8(14)13-6-2-1-3-6;/h6-7,12H,1-5H2,(H,13,14);1H/t7-;/m0./s1.
What are the key properties of (2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 240.68 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 155295075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).