3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

C9H17ClFN3O — CID 130637857

IUPAC3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1(F)CCNC1
InChIInChI=1S/C9H16FN3O.ClH/c10-9(2-4-12-6-9)8(14)13-7-1-3-11-5-7;/h7,11-12H,1-6H2,(H,13,14);1H
InChIKeyXWVPLCYTNPSIKB-UHFFFAOYSA-N
MW237.71 g/mol
LogP-0.41
Rot. Bonds2

About 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130637857) has the molecular formula C9H17ClFN3O and a molecular weight of 237.71 g/mol. Its IUPAC name is 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID130637857
Molecular FormulaC9H17ClFN3O
Molecular Weight237.71 g/mol
Exact Mass237.10
IUPAC Name3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1(F)CCNC1
InChIInChI=1S/C9H16FN3O.ClH/c10-9(2-4-12-6-9)8(14)13-7-1-3-11-5-7;/h7,11-12H,1-6H2,(H,13,14);1H
InChIKeyXWVPLCYTNPSIKB-UHFFFAOYSA-N
XLogP-0.41
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (CID 130637857) is 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1(F)CCNC1.
What is the InChIKey of 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XWVPLCYTNPSIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3O.ClH/c10-9(2-4-12-6-9)8(14)13-7-1-3-11-5-7;/h7,11-12H,1-6H2,(H,13,14);1H.
What are the key properties of 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 237.71 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130637857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).