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

C11H13FOS — CID 62043404

IUPAC1-(4-fluorophenyl)sulfanylpentan-2-one
SMILESCCCC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C11H13FOS/c1-2-3-10(13)8-14-11-6-4-9(12)5-7-11/h4-7H,2-3,8H2,1H3
InChIKeySEKVMMRIZLQMOA-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.29
Rot. Bonds5

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

1-(4-fluorophenyl)sulfanylpentan-2-one (PubChem CID 62043404) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanylpentan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanylpentan-2-one
PubChem CID62043404
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name1-(4-fluorophenyl)sulfanylpentan-2-one
SMILESCCCC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C11H13FOS/c1-2-3-10(13)8-14-11-6-4-9(12)5-7-11/h4-7H,2-3,8H2,1H3
InChIKeySEKVMMRIZLQMOA-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanylpentan-2-one
CID 62041671
1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-one
CID 79180159
1-naphthalen-2-ylsulfanylpentan-2-one
CID 62042537
1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-one
CID 66070133
1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-one
CID 103035349
2-(4-fluorophenyl)sulfanylacetate
CID 4115535
1-(4-fluorophenyl)sulfanyl-3-methylbut-3-en-2-one
CID 79189606
1-(4-bromophenyl)sulfanylhexan-2-one
CID 66056259
potassium 2-(4-fluorophenyl)sulfanylacetate
CID 23670823
1-(3,5-dichlorophenyl)sulfanylpentan-2-one
CID 165440950
1-(4-methylphenyl)sulfanyloctan-2-one
CID 66065161
propyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 78907883

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanylpentan-2-one?
The IUPAC name of 1-(4-fluorophenyl)sulfanylpentan-2-one (CID 62043404) is 1-(4-fluorophenyl)sulfanylpentan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanylpentan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)sulfanylpentan-2-one is CCCC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanylpentan-2-one?
The InChIKey is SEKVMMRIZLQMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c1-2-3-10(13)8-14-11-6-4-9(12)5-7-11/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanylpentan-2-one?
1-(4-fluorophenyl)sulfanylpentan-2-one has a molecular weight of 212.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanylpentan-2-one is sourced from PubChem (CID 62043404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).