3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one

C19H20FNO — CID 155528007

IUPAC3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(-c2ccc(F)cc2)cc1)N1CCCC1
InChIInChI=1S/C19H20FNO/c20-18-10-8-17(9-11-18)16-6-3-15(4-7-16)5-12-19(22)21-13-1-2-14-21/h3-4,6-11H,1-2,5,12-14H2
InChIKeyKLOXWCVUWYBOQG-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.05
Rot. Bonds4

About 3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one

3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 155528007) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID155528007
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(-c2ccc(F)cc2)cc1)N1CCCC1
InChIInChI=1S/C19H20FNO/c20-18-10-8-17(9-11-18)16-6-3-15(4-7-16)5-12-19(22)21-13-1-2-14-21/h3-4,6-11H,1-2,5,12-14H2
InChIKeyKLOXWCVUWYBOQG-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one (CID 155528007) is 3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1ccc(-c2ccc(F)cc2)cc1)N1CCCC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KLOXWCVUWYBOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-18-10-8-17(9-11-18)16-6-3-15(4-7-16)5-12-19(22)21-13-1-2-14-21/h3-4,6-11H,1-2,5,12-14H2.
What are the key properties of 3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one?
3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 297.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 155528007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).