(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine

C13H15F4N — CID 124570451

IUPAC(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
SMILESC[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1
InChIInChI=1S/C13H15F4N/c1-12(5-2-6-18-12)8-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7,18H,2,5-6,8H2,1H3/t12-/m0/s1
InChIKeyALMDGEVGPAUUJW-LBPRGKRZSA-N
MW261.26 g/mol
LogP3.53
Rot. Bonds2

About (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine

(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine (PubChem CID 124570451) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
PubChem CID124570451
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
SMILESC[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1
InChIInChI=1S/C13H15F4N/c1-12(5-2-6-18-12)8-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7,18H,2,5-6,8H2,1H3/t12-/m0/s1
InChIKeyALMDGEVGPAUUJW-LBPRGKRZSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine 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 (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine?
The IUPAC name of (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine (CID 124570451) is (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine?
The canonical SMILES for (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine is C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1.
What is the InChIKey of (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine?
The InChIKey is ALMDGEVGPAUUJW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15F4N/c1-12(5-2-6-18-12)8-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7,18H,2,5-6,8H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine?
(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine has a molecular weight of 261.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine is sourced from PubChem (CID 124570451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).