1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine

C14H18F3N — CID 58563555

IUPAC1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCc1cc(CN2CCCC2)c(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N/c1-10-7-12(9-18-5-3-4-6-18)11(2)13(8-10)14(15,16)17/h7-8H,3-6,9H2,1-2H3
InChIKeyUITUZSQJDGSUOL-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.92
Rot. Bonds2

About 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine

1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 58563555) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID58563555
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCc1cc(CN2CCCC2)c(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N/c1-10-7-12(9-18-5-3-4-6-18)11(2)13(8-10)14(15,16)17/h7-8H,3-6,9H2,1-2H3
InChIKeyUITUZSQJDGSUOL-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 58563555) is 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine is Cc1cc(CN2CCCC2)c(C)c(C(F)(F)F)c1.
What is the InChIKey of 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is UITUZSQJDGSUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10-7-12(9-18-5-3-4-6-18)11(2)13(8-10)14(15,16)17/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 58563555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).