1-phenyl-2-(trifluoromethyl)pyrrolidine

C11H12F3N — CID 46193758

IUPAC1-phenyl-2-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1CCCN1c1ccccc1
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-7-4-8-15(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyZZYATYZSYPKREP-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.22
Rot. Bonds1

About 1-phenyl-2-(trifluoromethyl)pyrrolidine

1-phenyl-2-(trifluoromethyl)pyrrolidine (PubChem CID 46193758) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-phenyl-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-phenyl-2-(trifluoromethyl)pyrrolidine
PubChem CID46193758
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name1-phenyl-2-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1CCCN1c1ccccc1
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-7-4-8-15(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyZZYATYZSYPKREP-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-phenyl-2-(trifluoromethyl)pyrrolidine (CID 46193758) is 1-phenyl-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-phenyl-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-phenyl-2-(trifluoromethyl)pyrrolidine is FC(F)(F)C1CCCN1c1ccccc1.
What is the InChIKey of 1-phenyl-2-(trifluoromethyl)pyrrolidine?
The InChIKey is ZZYATYZSYPKREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)10-7-4-8-15(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2.
What are the key properties of 1-phenyl-2-(trifluoromethyl)pyrrolidine?
1-phenyl-2-(trifluoromethyl)pyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 46193758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).