hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone

C16H17F6OSSb — CID 16705545

IUPAChexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone
SMILESF[Sb-](F)(F)(F)(F)F.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H17OS.6FH.Sb/c17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;;;;;;;/h1-2,5-8,11H,3-4,9-10,12H2;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyARHPRXWJSPMGTL-UHFFFAOYSA-H
MW493.13 g/mol
LogP5.57
Rot. Bonds3

About hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone

hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone (PubChem CID 16705545) has the molecular formula C16H17F6OSSb and a molecular weight of 493.13 g/mol. Its IUPAC name is hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone.

Molecular Properties

Compound Namehexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone
PubChem CID16705545
Molecular FormulaC16H17F6OSSb
Molecular Weight493.13 g/mol
Exact Mass491.99
IUPAC Namehexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone
SMILESF[Sb-](F)(F)(F)(F)F.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H17OS.6FH.Sb/c17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;;;;;;;/h1-2,5-8,11H,3-4,9-10,12H2;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyARHPRXWJSPMGTL-UHFFFAOYSA-H
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.13
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-yl-2-(thiepan-1-ium-1-yl)ethanone
CID 142377238
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
CID 87197273
CID 87197273
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
naphthalene-2-carboxylic acid
CID 175967775
2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone
CID 11694682
triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
CID 130452133
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
CID 174874865
7-hydroxy-1-naphthalen-2-ylheptan-1-one
CID 142086733
2-tert-butylsulfanyl-1-naphthalen-2-ylethanone
CID 60645601

Frequently Asked Questions

What is the IUPAC name of hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone?
The IUPAC name of hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone (CID 16705545) is hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone.
What is the SMILES notation for hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone?
The canonical SMILES for hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone is F[Sb-](F)(F)(F)(F)F.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone?
The InChIKey is ARHPRXWJSPMGTL-UHFFFAOYSA-H. The full InChI is InChI=1S/C16H17OS.6FH.Sb/c17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;;;;;;;/h1-2,5-8,11H,3-4,9-10,12H2;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone?
hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone has a molecular weight of 493.13 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone is sourced from PubChem (CID 16705545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).