N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride

C9H16ClF3N2O — CID 119781584

IUPACN-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCC(F)(F)F)C1CCNC1
InChIInChI=1S/C9H15F3N2O.ClH/c10-9(11,12)3-1-4-14-8(15)7-2-5-13-6-7;/h7,13H,1-6H2,(H,14,15);1H
InChIKeyHDYZVHCVUOIMNM-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.48
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride

N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119781584) has the molecular formula C9H16ClF3N2O and a molecular weight of 260.69 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119781584
Molecular FormulaC9H16ClF3N2O
Molecular Weight260.69 g/mol
Exact Mass260.09
IUPAC NameN-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCC(F)(F)F)C1CCNC1
InChIInChI=1S/C9H15F3N2O.ClH/c10-9(11,12)3-1-4-14-8(15)7-2-5-13-6-7;/h7,13H,1-6H2,(H,14,15);1H
InChIKeyHDYZVHCVUOIMNM-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 63827244
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
N-(5-amino-5-oxopentyl)pyrrolidine-3-carboxamide
CID 106235636
5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327649
N-hex-5-ynylpyrrolidine-3-carboxamide
CID 106213094
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119781584) is N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCCCC(F)(F)F)C1CCNC1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is HDYZVHCVUOIMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O.ClH/c10-9(11,12)3-1-4-14-8(15)7-2-5-13-6-7;/h7,13H,1-6H2,(H,14,15);1H.
What are the key properties of N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 260.69 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119781584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).