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

C13H16F3N — CID 55062903

IUPAC2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1(C)NCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N/c1-12(2)10(7-8-17-12)9-5-3-4-6-11(9)13(14,15)16/h3-6,10,17H,7-8H2,1-2H3
InChIKeySNTUNLVDFYPUMX-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.56
Rot. Bonds1

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

2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 55062903) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID55062903
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1(C)NCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N/c1-12(2)10(7-8-17-12)9-5-3-4-6-11(9)13(14,15)16/h3-6,10,17H,7-8H2,1-2H3
InChIKeySNTUNLVDFYPUMX-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]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 2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine (CID 55062903) is 2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine is CC1(C)NCCC1c1ccccc1C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is SNTUNLVDFYPUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-12(2)10(7-8-17-12)9-5-3-4-6-11(9)13(14,15)16/h3-6,10,17H,7-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 243.27 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 55062903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).