cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride

C15H17CsF4O2S — CID 158810423

IUPACcesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride
SMILESFC(F)(F)c1ccc(SC2CCC3(CC2)OCCO3)cc1.[Cs+].[F-]
InChIInChI=1S/C15H17F3O2S.Cs.FH/c16-15(17,18)11-1-3-12(4-2-11)21-13-5-7-14(8-6-13)19-9-10-20-14;;/h1-4,13H,5-10H2;;1H/q;+1;/p-1
InChIKeyIUPNQHHNDSJGIC-UHFFFAOYSA-M
MW470.26 g/mol
LogP-1.51
Rot. Bonds2

About cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride

cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride (PubChem CID 158810423) has the molecular formula C15H17CsF4O2S and a molecular weight of 470.26 g/mol. Its IUPAC name is cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride.

Molecular Properties

Compound Namecesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride
PubChem CID158810423
Molecular FormulaC15H17CsF4O2S
Molecular Weight470.26 g/mol
Exact Mass469.99
IUPAC Namecesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride
SMILESFC(F)(F)c1ccc(SC2CCC3(CC2)OCCO3)cc1.[Cs+].[F-]
InChIInChI=1S/C15H17F3O2S.Cs.FH/c16-15(17,18)11-1-3-12(4-2-11)21-13-5-7-14(8-6-13)19-9-10-20-14;;/h1-4,13H,5-10H2;;1H/q;+1;/p-1
InChIKeyIUPNQHHNDSJGIC-UHFFFAOYSA-M
XLogP-1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.26
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methylphenyl)sulfanylmethyl] 2,2,2-trifluoroacetate
CID 134916301
8-Fluoro-8-(3-(trifluoromethyl)phenylsulfonyl)-1,4-dioxaspiro[4.5]decane
CID 67054725
8-(3-(Trifluoromethyl)phenylthio)-1,4-dioxaspiro[4.5]decane
CID 67054767
8-(3-Fluoro-5-(trifluoromethyl)phenylsulfonyl)-1,4-dioxaspiro[4.5]decane
CID 67054841
8-(3-(Trifluoromethyl)phenylsulfonyl)-1,4-dioxaspiro[4.5]decane
CID 67054879
8-[3-Fluoro-5-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane
CID 68353510
8-[4-(Trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane
CID 69192341
8-[4-(Trifluoromethyl)phenyl]sulfonyl-1,4-dioxaspiro[4.5]decane
CID 69194000
8-[[(S)-(4-methylphenyl)sulfinyl]methyl]-1,4-dioxaspiro[4.5]dec-7-ene
CID 134971579
(4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane
CID 166448507
8-[2-(4-Methylphenyl)sulfonylethylidene]-1,4-dioxaspiro[4.5]decane
CID 71503841
8-[(4-Methylphenyl)sulfanylmethylidene]-1,4-dioxaspiro[4.5]decane
CID 86052722

Frequently Asked Questions

What is the IUPAC name of cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride?
The IUPAC name of cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride (CID 158810423) is cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride.
What is the SMILES notation for cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride?
The canonical SMILES for cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride is FC(F)(F)c1ccc(SC2CCC3(CC2)OCCO3)cc1.[Cs+].[F-].
What is the InChIKey of cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride?
The InChIKey is IUPNQHHNDSJGIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17F3O2S.Cs.FH/c16-15(17,18)11-1-3-12(4-2-11)21-13-5-7-14(8-6-13)19-9-10-20-14;;/h1-4,13H,5-10H2;;1H/q;+1;/p-1.
What are the key properties of cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride?
cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride has a molecular weight of 470.26 g/mol, XLogP of -1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane;fluoride is sourced from PubChem (CID 158810423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).