[cyclohexylidene(fluoro)methyl]sulfonylbenzene

C13H15FO2S — CID 11219008

IUPAC[cyclohexylidene(fluoro)methyl]sulfonylbenzene
SMILESO=S(=O)(C(F)=C1CCCCC1)c1ccccc1
InChIInChI=1S/C13H15FO2S/c14-13(11-7-3-1-4-8-11)17(15,16)12-9-5-2-6-10-12/h2,5-6,9-10H,1,3-4,7-8H2
InChIKeyRSSDFLSYNVYDQJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.61
Rot. Bonds2

About [cyclohexylidene(fluoro)methyl]sulfonylbenzene

[cyclohexylidene(fluoro)methyl]sulfonylbenzene (PubChem CID 11219008) has the molecular formula C13H15FO2S and a molecular weight of 254.33 g/mol. Its IUPAC name is [cyclohexylidene(fluoro)methyl]sulfonylbenzene.

Molecular Properties

Compound Name[cyclohexylidene(fluoro)methyl]sulfonylbenzene
PubChem CID11219008
Molecular FormulaC13H15FO2S
Molecular Weight254.33 g/mol
Exact Mass254.08
IUPAC Name[cyclohexylidene(fluoro)methyl]sulfonylbenzene
SMILESO=S(=O)(C(F)=C1CCCCC1)c1ccccc1
InChIInChI=1S/C13H15FO2S/c14-13(11-7-3-1-4-8-11)17(15,16)12-9-5-2-6-10-12/h2,5-6,9-10H,1,3-4,7-8H2
InChIKeyRSSDFLSYNVYDQJ-UHFFFAOYSA-N
XLogP3.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [cyclohexylidene(fluoro)methyl]sulfonylbenzene?
The IUPAC name of [cyclohexylidene(fluoro)methyl]sulfonylbenzene (CID 11219008) is [cyclohexylidene(fluoro)methyl]sulfonylbenzene.
What is the SMILES notation for [cyclohexylidene(fluoro)methyl]sulfonylbenzene?
The canonical SMILES for [cyclohexylidene(fluoro)methyl]sulfonylbenzene is O=S(=O)(C(F)=C1CCCCC1)c1ccccc1.
What is the InChIKey of [cyclohexylidene(fluoro)methyl]sulfonylbenzene?
The InChIKey is RSSDFLSYNVYDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2S/c14-13(11-7-3-1-4-8-11)17(15,16)12-9-5-2-6-10-12/h2,5-6,9-10H,1,3-4,7-8H2.
What are the key properties of [cyclohexylidene(fluoro)methyl]sulfonylbenzene?
[cyclohexylidene(fluoro)methyl]sulfonylbenzene has a molecular weight of 254.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexylidene(fluoro)methyl]sulfonylbenzene is sourced from PubChem (CID 11219008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).