3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C11H19F3N2O — CID 113411904

IUPAC3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-10(2,3)8-4-5-16(6-8)9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)
InChIKeyUHYSPKIJFTXOEB-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.63
Rot. Bonds1

About 3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 113411904) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID113411904
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-10(2,3)8-4-5-16(6-8)9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)
InChIKeyUHYSPKIJFTXOEB-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-(4,4,4-trifluorobutyl)pyrrolidine-1-carboxamide
CID 121525649
3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 126794090
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72703084
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115601464
3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115686644
(3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 129054519
(4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 130358906
(3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 138498620
(3S)-3-ethyl-4-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 145355845
(3S)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 146189933
N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 155123284

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 113411904) is 3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC(C)(C)C1CCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is UHYSPKIJFTXOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-10(2,3)8-4-5-16(6-8)9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 113411904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).