N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide

C9H15F3N2O — CID 79046602

IUPACN-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCC(F)(F)F)C1CCCN1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)4-2-6-14-8(15)7-3-1-5-13-7/h7,13H,1-6H2,(H,14,15)
InChIKeyCUOAIDGPELDSJZ-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.20
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide

N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide (PubChem CID 79046602) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
PubChem CID79046602
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCC(F)(F)F)C1CCCN1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)4-2-6-14-8(15)7-3-1-5-13-7/h7,13H,1-6H2,(H,14,15)
InChIKeyCUOAIDGPELDSJZ-UHFFFAOYSA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.20
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-2-carboxamide
CID 81434241
(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103795366
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990
3-[[(2S)-pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid
CID 25008297
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
(2S)-N-[2-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 11725207
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
(2S)-N-[2-oxo-2-[8-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]octylamino]ethyl]pyrrolidine-2-carboxamide
CID 102333341

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide (CID 79046602) is N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide is O=C(NCCCC(F)(F)F)C1CCCN1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide?
The InChIKey is CUOAIDGPELDSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)4-2-6-14-8(15)7-3-1-5-13-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide?
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.20, 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-2-carboxamide is sourced from PubChem (CID 79046602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).