1-(4-fluorophenyl)sulfanylpropan-2-one

C9H9FOS — CID 2737496

IUPAC1-(4-fluorophenyl)sulfanylpropan-2-one
SMILESCC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C9H9FOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChIKeyMKJQBSVPZYELIJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-fluorophenyl)sulfanylpropan-2-one

1-(4-fluorophenyl)sulfanylpropan-2-one (PubChem CID 2737496) has the molecular formula C9H9FOS and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanylpropan-2-one
PubChem CID2737496
Molecular FormulaC9H9FOS
Molecular Weight184.23 g/mol
Exact Mass184.04
IUPAC Name1-(4-fluorophenyl)sulfanylpropan-2-one
SMILESCC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C9H9FOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChIKeyMKJQBSVPZYELIJ-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(4-fluorophenyl)sulfanylpropan-2-one (CID 2737496) is 1-(4-fluorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)sulfanylpropan-2-one is CC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanylpropan-2-one?
The InChIKey is MKJQBSVPZYELIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanylpropan-2-one?
1-(4-fluorophenyl)sulfanylpropan-2-one has a molecular weight of 184.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 2737496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).