2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine

C18H18F3N — CID 123311094

IUPAC2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
SMILESCC1CCC(c2cccc(-c3ccccc3C(F)(F)F)c2)N1
InChIInChI=1S/C18H18F3N/c1-12-9-10-17(22-12)14-6-4-5-13(11-14)15-7-2-3-8-16(15)18(19,20)21/h2-8,11-12,17,22H,9-10H2,1H3
InChIKeyXFEALTBCARABGE-UHFFFAOYSA-N
MW305.34 g/mol
LogP5.19
Rot. Bonds2

About 2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine

2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine (PubChem CID 123311094) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
PubChem CID123311094
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
SMILESCC1CCC(c2cccc(-c3ccccc3C(F)(F)F)c2)N1
InChIInChI=1S/C18H18F3N/c1-12-9-10-17(22-12)14-6-4-5-13(11-14)15-7-2-3-8-16(15)18(19,20)21/h2-8,11-12,17,22H,9-10H2,1H3
InChIKeyXFEALTBCARABGE-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
The IUPAC name of 2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine (CID 123311094) is 2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine.
What is the SMILES notation for 2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
The canonical SMILES for 2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine is CC1CCC(c2cccc(-c3ccccc3C(F)(F)F)c2)N1.
What is the InChIKey of 2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
The InChIKey is XFEALTBCARABGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c1-12-9-10-17(22-12)14-6-4-5-13(11-14)15-7-2-3-8-16(15)18(19,20)21/h2-8,11-12,17,22H,9-10H2,1H3.
What are the key properties of 2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine has a molecular weight of 305.34 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine is sourced from PubChem (CID 123311094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).