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

C12H21F3N2O — CID 155201076

IUPAC2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)N1CCCC1C(C)(C)C
InChIInChI=1S/C12H21F3N2O/c1-11(2,3)9-6-5-7-17(9)10(18)16(4)8-12(13,14)15/h9H,5-8H2,1-4H3
InChIKeyWNDRFJOILOVGRO-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.11
Rot. Bonds1

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

2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 155201076) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID155201076
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)N1CCCC1C(C)(C)C
InChIInChI=1S/C12H21F3N2O/c1-11(2,3)9-6-5-7-17(9)10(18)16(4)8-12(13,14)15/h9H,5-8H2,1-4H3
InChIKeyWNDRFJOILOVGRO-UHFFFAOYSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(fluoromethyl)-N,N-dimethyl-2-azaspiro[4.5]decane-2-carboxamide
CID 134861867
1-Methyl-4,5-di(propan-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 124032612
(2S)-N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 124192494
N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 144898859
1-Methyl-4-(2-methylpropyl)-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 145652573
2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155201045
(2-Tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone
CID 155201081
(2-Tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155201082
2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide
CID 155627067
2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide
CID 155627074
2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide
CID 155627096
N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193617

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 155201076) is 2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CN(CC(F)(F)F)C(=O)N1CCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is WNDRFJOILOVGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-11(2,3)9-6-5-7-17(9)10(18)16(4)8-12(13,14)15/h9H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155201076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).