3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one

C19H15FOS — CID 5005178

IUPAC3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCSc1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15FOS/c20-17-7-9-18(10-8-17)22-12-11-19(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13H,11-12H2
InChIKeyICOQFWCWVBDSBW-UHFFFAOYSA-N
MW310.39 g/mol
LogP5.34
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one

3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one (PubChem CID 5005178) has the molecular formula C19H15FOS and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one
PubChem CID5005178
Molecular FormulaC19H15FOS
Molecular Weight310.39 g/mol
Exact Mass310.08
IUPAC Name3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCSc1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15FOS/c20-17-7-9-18(10-8-17)22-12-11-19(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13H,11-12H2
InChIKeyICOQFWCWVBDSBW-UHFFFAOYSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one (CID 5005178) is 3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one is O=C(CCSc1ccc(F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one?
The InChIKey is ICOQFWCWVBDSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FOS/c20-17-7-9-18(10-8-17)22-12-11-19(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13H,11-12H2.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one?
3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one has a molecular weight of 310.39 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 5005178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).