3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine

C16H15F2N — CID 117401616

IUPAC3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine
SMILESFc1ccccc1-c1cc(C2CCNC2)ccc1F
InChIInChI=1S/C16H15F2N/c17-15-4-2-1-3-13(15)14-9-11(5-6-16(14)18)12-7-8-19-10-12/h1-6,9,12,19H,7-8,10H2
InChIKeyYQQGNUUMSNMHHO-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.71
Rot. Bonds2

About 3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine

3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine (PubChem CID 117401616) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine
PubChem CID117401616
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine
SMILESFc1ccccc1-c1cc(C2CCNC2)ccc1F
InChIInChI=1S/C16H15F2N/c17-15-4-2-1-3-13(15)14-9-11(5-6-16(14)18)12-7-8-19-10-12/h1-6,9,12,19H,7-8,10H2
InChIKeyYQQGNUUMSNMHHO-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine?
The IUPAC name of 3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine (CID 117401616) is 3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine is Fc1ccccc1-c1cc(C2CCNC2)ccc1F.
What is the InChIKey of 3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine?
The InChIKey is YQQGNUUMSNMHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-15-4-2-1-3-13(15)14-9-11(5-6-16(14)18)12-7-8-19-10-12/h1-6,9,12,19H,7-8,10H2.
What are the key properties of 3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine?
3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine has a molecular weight of 259.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine is sourced from PubChem (CID 117401616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).