(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine

C13H16F3N — CID 124570457

IUPAC(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESC[C@]1(Cc2ccccc2C(F)(F)F)CCCN1
InChIInChI=1S/C13H16F3N/c1-12(7-4-8-17-12)9-10-5-2-3-6-11(10)13(14,15)16/h2-3,5-6,17H,4,7-9H2,1H3/t12-/m1/s1
InChIKeyYWGJRKLRPMNNPE-GFCCVEGCSA-N
MW243.27 g/mol
LogP3.39
Rot. Bonds2

About (2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine

(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 124570457) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is (2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID124570457
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESC[C@]1(Cc2ccccc2C(F)(F)F)CCCN1
InChIInChI=1S/C13H16F3N/c1-12(7-4-8-17-12)9-10-5-2-3-6-11(10)13(14,15)16/h2-3,5-6,17H,4,7-9H2,1H3/t12-/m1/s1
InChIKeyYWGJRKLRPMNNPE-GFCCVEGCSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-methyl-2-[[2-(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 (2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of (2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 124570457) is (2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for (2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine is C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1.
What is the InChIKey of (2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is YWGJRKLRPMNNPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16F3N/c1-12(7-4-8-17-12)9-10-5-2-3-6-11(10)13(14,15)16/h2-3,5-6,17H,4,7-9H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 243.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 124570457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).