1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one

C10H11FO3S — CID 107511634

IUPAC1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one
SMILESCOCC(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO3S/c1-14-6-9(12)7-15(13)10-4-2-8(11)3-5-10/h2-5H,6-7H2,1H3
InChIKeyNVLSCSOVLXTRMM-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.15
Rot. Bonds5

About 1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one

1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one (PubChem CID 107511634) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one
PubChem CID107511634
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one
SMILESCOCC(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO3S/c1-14-6-9(12)7-15(13)10-4-2-8(11)3-5-10/h2-5H,6-7H2,1H3
InChIKeyNVLSCSOVLXTRMM-UHFFFAOYSA-N
XLogP1.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one?
The IUPAC name of 1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one (CID 107511634) is 1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one is COCC(=O)CS(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one?
The InChIKey is NVLSCSOVLXTRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-14-6-9(12)7-15(13)10-4-2-8(11)3-5-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one?
1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one has a molecular weight of 230.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfinyl-3-methoxypropan-2-one is sourced from PubChem (CID 107511634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).