1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine

C15H20F3NO — CID 167248870

IUPAC1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine
SMILESCC(C)(C)N1CCCC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-14(2,3)19-10-6-8-12(19)11-7-4-5-9-13(11)20-15(16,17)18/h4-5,7,9,12H,6,8,10H2,1-3H3
InChIKeyMEOHBSNEGSMKCV-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.52
Rot. Bonds2

About 1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine

1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine (PubChem CID 167248870) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine
PubChem CID167248870
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine
SMILESCC(C)(C)N1CCCC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-14(2,3)19-10-6-8-12(19)11-7-4-5-9-13(11)20-15(16,17)18/h4-5,7,9,12H,6,8,10H2,1-3H3
InChIKeyMEOHBSNEGSMKCV-UHFFFAOYSA-N
XLogP4.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine
CID 157275128
1-tert-butyl-2-(2-phenylphenyl)pyrrolidine
CID 158841914
(2S)-1-tert-butyl-2-[2-(4,4-difluorocyclohexyl)phenyl]pyrrolidine
CID 157275140
(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-phenylpyrrolidine
CID 163924303
1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine
CID 158072717
2-[(2S)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-(trideuteriomethyl)aniline
CID 159373633
2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 166503867
1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 172509603
(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
CID 83128862
1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 157039254
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
[2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81009543

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The IUPAC name of 1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine (CID 167248870) is 1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine.
What is the SMILES notation for 1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The canonical SMILES for 1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine is CC(C)(C)N1CCCC1c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The InChIKey is MEOHBSNEGSMKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-14(2,3)19-10-6-8-12(19)11-7-4-5-9-13(11)20-15(16,17)18/h4-5,7,9,12H,6,8,10H2,1-3H3.
What are the key properties of 1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine?
1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine has a molecular weight of 287.32 g/mol, XLogP of 4.52, 2 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-(trifluoromethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 167248870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).