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

C5H9ClF2N2O — CID 45158909

IUPAC(2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/m0./s1
InChIKeyRRQDQYAEZGKHOB-DFWYDOINSA-N
MW186.59 g/mol
LogP-0.11
Rot. Bonds1

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

(2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 45158909) has the molecular formula C5H9ClF2N2O and a molecular weight of 186.59 g/mol. Its IUPAC name is (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID45158909
Molecular FormulaC5H9ClF2N2O
Molecular Weight186.59 g/mol
Exact Mass186.04
IUPAC Name(2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/m0./s1
InChIKeyRRQDQYAEZGKHOB-DFWYDOINSA-N
XLogP-0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (CID 45158909) is (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is Cl.NC(=O)[C@@H]1CC(F)(F)CN1.
What is the InChIKey of (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is RRQDQYAEZGKHOB-DFWYDOINSA-N. The full InChI is InChI=1S/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/m0./s1.
What are the key properties of (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
(2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 186.59 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 45158909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).