3-fluoropyrrolidine-3-carboxamide;hydrochloride

C5H10ClFN2O — CID 130737034

IUPAC3-fluoropyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1(F)CCNC1
InChIInChI=1S/C5H9FN2O.ClH/c6-5(4(7)9)1-2-8-3-5;/h8H,1-3H2,(H2,7,9);1H
InChIKeyZDBJLCFAYBWSBN-UHFFFAOYSA-N
MW168.60 g/mol
LogP-0.40
Rot. Bonds1

About 3-fluoropyrrolidine-3-carboxamide;hydrochloride

3-fluoropyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130737034) has the molecular formula C5H10ClFN2O and a molecular weight of 168.60 g/mol. Its IUPAC name is 3-fluoropyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-fluoropyrrolidine-3-carboxamide;hydrochloride
PubChem CID130737034
Molecular FormulaC5H10ClFN2O
Molecular Weight168.60 g/mol
Exact Mass168.05
IUPAC Name3-fluoropyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1(F)CCNC1
InChIInChI=1S/C5H9FN2O.ClH/c6-5(4(7)9)1-2-8-3-5;/h8H,1-3H2,(H2,7,9);1H
InChIKeyZDBJLCFAYBWSBN-UHFFFAOYSA-N
XLogP-0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.60
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-fluoropyrrolidine-3-carboxamide;hydrochloride (CID 130737034) is 3-fluoropyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-fluoropyrrolidine-3-carboxamide;hydrochloride is Cl.NC(=O)C1(F)CCNC1.
What is the InChIKey of 3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZDBJLCFAYBWSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O.ClH/c6-5(4(7)9)1-2-8-3-5;/h8H,1-3H2,(H2,7,9);1H.
What are the key properties of 3-fluoropyrrolidine-3-carboxamide;hydrochloride?
3-fluoropyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 168.60 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130737034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).