2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine

C17H16F3N — CID 62718282

IUPAC2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(C2CCNC2c2ccccc2)cc1
InChIInChI=1S/C17H16F3N/c18-17(19,20)14-8-6-12(7-9-14)15-10-11-21-16(15)13-4-2-1-3-5-13/h1-9,15-16,21H,10-11H2
InChIKeyIDYLERPLGVBJJV-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.52
Rot. Bonds2

About 2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine

2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 62718282) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID62718282
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(C2CCNC2c2ccccc2)cc1
InChIInChI=1S/C17H16F3N/c18-17(19,20)14-8-6-12(7-9-14)15-10-11-21-16(15)13-4-2-1-3-5-13/h1-9,15-16,21H,10-11H2
InChIKeyIDYLERPLGVBJJV-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine (CID 62718282) is 2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1ccc(C2CCNC2c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is IDYLERPLGVBJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)14-8-6-12(7-9-14)15-10-11-21-16(15)13-4-2-1-3-5-13/h1-9,15-16,21H,10-11H2.
What are the key properties of 2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 291.32 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 62718282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).