2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine

C13H16F3N — CID 58733434

IUPAC2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCC1CCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N/c1-10-5-4-8-17(10)9-11-6-2-3-7-12(11)13(14,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyUDWCOCVFZUIKGW-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.69
Rot. Bonds2

About 2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine

2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 58733434) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID58733434
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCC1CCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N/c1-10-5-4-8-17(10)9-11-6-2-3-7-12(11)13(14,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyUDWCOCVFZUIKGW-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 58733434) is 2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine is CC1CCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is UDWCOCVFZUIKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-10-5-4-8-17(10)9-11-6-2-3-7-12(11)13(14,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 243.27 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 58733434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).