2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine

C16H22F3N — CID 70841197

IUPAC2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)c1ccc(N2C(C)CCC2C)cc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-10(2)14-8-7-13(9-15(14)16(17,18)19)20-11(3)5-6-12(20)4/h7-12H,5-6H2,1-4H3
InChIKeySUIMIPZPGQQNRS-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.21
Rot. Bonds2

About 2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine

2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 70841197) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID70841197
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)c1ccc(N2C(C)CCC2C)cc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-10(2)14-8-7-13(9-15(14)16(17,18)19)20-11(3)5-6-12(20)4/h7-12H,5-6H2,1-4H3
InChIKeySUIMIPZPGQQNRS-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine (CID 70841197) is 2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine is CC(C)c1ccc(N2C(C)CCC2C)cc1C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is SUIMIPZPGQQNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-10(2)14-8-7-13(9-15(14)16(17,18)19)20-11(3)5-6-12(20)4/h7-12H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine?
2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 285.35 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 70841197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).