3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine

C17H17F2N — CID 115528319

IUPAC3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine
SMILESFC(F)c1cccc(C2CCNC2c2ccccc2)c1
InChIInChI=1S/C17H17F2N/c18-17(19)14-8-4-7-13(11-14)15-9-10-20-16(15)12-5-2-1-3-6-12/h1-8,11,15-17,20H,9-10H2
InChIKeyYGVCGHHNFOMRGC-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.44
Rot. Bonds3

About 3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine

3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine (PubChem CID 115528319) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine.

Molecular Properties

Compound Name3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine
PubChem CID115528319
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine
SMILESFC(F)c1cccc(C2CCNC2c2ccccc2)c1
InChIInChI=1S/C17H17F2N/c18-17(19)14-8-4-7-13(11-14)15-9-10-20-16(15)12-5-2-1-3-6-12/h1-8,11,15-17,20H,9-10H2
InChIKeyYGVCGHHNFOMRGC-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine?
The IUPAC name of 3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine (CID 115528319) is 3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine.
What is the SMILES notation for 3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine?
The canonical SMILES for 3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine is FC(F)c1cccc(C2CCNC2c2ccccc2)c1.
What is the InChIKey of 3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine?
The InChIKey is YGVCGHHNFOMRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c18-17(19)14-8-4-7-13(11-14)15-9-10-20-16(15)12-5-2-1-3-6-12/h1-8,11,15-17,20H,9-10H2.
What are the key properties of 3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine?
3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine has a molecular weight of 273.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine is sourced from PubChem (CID 115528319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).