N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H17F3N2O — CID 63710909

IUPACN-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O/c1-2-3-5-15-8(16)9(10(11,12)13)4-6-14-7-9/h14H,2-7H2,1H3,(H,15,16)
InChIKeyXRQPBUMOELVPQU-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.44
Rot. Bonds4

About N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710909) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710909
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O/c1-2-3-5-15-8(16)9(10(11,12)13)4-6-14-7-9/h14H,2-7H2,1H3,(H,15,16)
InChIKeyXRQPBUMOELVPQU-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708215
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63958651
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-(2-hydroxy-2-methylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106292003
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 114467822
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106116600
1-[3-(trifluoromethyl)pyrrolidin-3-yl]heptan-1-one
CID 116572874
N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106427350
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710909) is N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is XRQPBUMOELVPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-3-5-15-8(16)9(10(11,12)13)4-6-14-7-9/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).