1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one

C14H17FO3S — CID 64639976

IUPAC1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one
SMILESO=C(CCS(=O)C1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FO3S/c15-12-3-1-11(2-4-12)14(16)7-10-19(17)13-5-8-18-9-6-13/h1-4,13H,5-10H2
InChIKeyHHSIZTGGFSWOEF-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.33
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one

1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one (PubChem CID 64639976) has the molecular formula C14H17FO3S and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one
PubChem CID64639976
Molecular FormulaC14H17FO3S
Molecular Weight284.35 g/mol
Exact Mass284.09
IUPAC Name1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one
SMILESO=C(CCS(=O)C1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FO3S/c15-12-3-1-11(2-4-12)14(16)7-10-19(17)13-5-8-18-9-6-13/h1-4,13H,5-10H2
InChIKeyHHSIZTGGFSWOEF-UHFFFAOYSA-N
XLogP2.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one (CID 64639976) is 1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one is O=C(CCS(=O)C1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one?
The InChIKey is HHSIZTGGFSWOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3S/c15-12-3-1-11(2-4-12)14(16)7-10-19(17)13-5-8-18-9-6-13/h1-4,13H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one?
1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one has a molecular weight of 284.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(oxan-4-ylsulfinyl)propan-1-one is sourced from PubChem (CID 64639976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).