2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine

C15H20F3N — CID 62763612

IUPAC2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)CC1NCCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-10(2)8-14-13(6-7-19-14)11-4-3-5-12(9-11)15(16,17)18/h3-5,9-10,13-14,19H,6-8H2,1-2H3
InChIKeyWPMZRMWOACZVSG-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.20
Rot. Bonds3

About 2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine

2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 62763612) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID62763612
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)CC1NCCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-10(2)8-14-13(6-7-19-14)11-4-3-5-12(9-11)15(16,17)18/h3-5,9-10,13-14,19H,6-8H2,1-2H3
InChIKeyWPMZRMWOACZVSG-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763617
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763269
N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine
CID 81033561
N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825250
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83237992
2-[3-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 105485228
2-[3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 117000351
7-methyl-3-[3-(trifluoromethyl)phenyl]-1,4-thiazepane 1,1-dioxide
CID 66230681

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine (CID 62763612) is 2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine is CC(C)CC1NCCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is WPMZRMWOACZVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10(2)8-14-13(6-7-19-14)11-4-3-5-12(9-11)15(16,17)18/h3-5,9-10,13-14,19H,6-8H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 271.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 62763612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).