1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine

C15H27F3N2 — CID 168820897

IUPAC1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine
SMILESCC(C)(C)N1CC(N2CCC(C(F)(F)F)C2)CC1(C)C
InChIInChI=1S/C15H27F3N2/c1-13(2,3)20-10-12(8-14(20,4)5)19-7-6-11(9-19)15(16,17)18/h11-12H,6-10H2,1-5H3
InChIKeyUVMATYRXCPLCBT-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.52
Rot. Bonds1

About 1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine

1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine (PubChem CID 168820897) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine
PubChem CID168820897
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine
SMILESCC(C)(C)N1CC(N2CCC(C(F)(F)F)C2)CC1(C)C
InChIInChI=1S/C15H27F3N2/c1-13(2,3)20-10-12(8-14(20,4)5)19-7-6-11(9-19)15(16,17)18/h11-12H,6-10H2,1-5H3
InChIKeyUVMATYRXCPLCBT-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4R)-2-tert-butyl-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 57911327
(1S,4S)-2-tert-butyl-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 70962183
7-(1,1,1-Trifluoro-3-methylbutan-2-yl)-1,7-diazaspiro[4.4]nonane
CID 117706298
(3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine
CID 126708796
1-(2,2-Difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 130719293
2-(2,2-Difluoroethyl)-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 132046280
1-tert-butyl-3-[2-methyl-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]-2-(trifluoromethyl)pyrrolidine
CID 138581113
(1R,4R)-2-tert-butyl-5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 140929418
(5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 146518654
3,3-difluoro-1-[5-[(3R)-3-fluoropyrrolidin-1-yl]-2,5-dimethylhexan-2-yl]pyrrolidine
CID 147083093
(1S)-2-tert-butyl-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 153004181
(1S,4S)-2-tert-butyl-5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 153506034

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine?
The IUPAC name of 1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine (CID 168820897) is 1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine.
What is the SMILES notation for 1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine?
The canonical SMILES for 1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine is CC(C)(C)N1CC(N2CCC(C(F)(F)F)C2)CC1(C)C.
What is the InChIKey of 1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine?
The InChIKey is UVMATYRXCPLCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-13(2,3)20-10-12(8-14(20,4)5)19-7-6-11(9-19)15(16,17)18/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine?
1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine has a molecular weight of 292.39 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine is sourced from PubChem (CID 168820897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).