2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene

C10H10F6S2 — CID 86007747

IUPAC2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene
SMILESCC1=C(C)CC2(SC1)SC(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H10F6S2/c1-5-3-7(17-4-6(5)2)8(11,12)9(13,14)10(15,16)18-7/h3-4H2,1-2H3
InChIKeyAMADSEUOIVDLOQ-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.77
Rot. Bonds

About 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene

2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene (PubChem CID 86007747) has the molecular formula C10H10F6S2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene
PubChem CID86007747
Molecular FormulaC10H10F6S2
Molecular Weight308.31 g/mol
Exact Mass308.01
IUPAC Name2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene
SMILESCC1=C(C)CC2(SC1)SC(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H10F6S2/c1-5-3-7(17-4-6(5)2)8(11,12)9(13,14)10(15,16)18-7/h3-4H2,1-2H3
InChIKeyAMADSEUOIVDLOQ-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene with MolForge

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Related Compounds

2-(Ethylthio)-2-(trifluoromethyl)-4,5-dimethyl-3,6-dihydro-2H-thiopyran
CID 15312185
6-Fluoro-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85975912
6-Ethylsulfanyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dimethyl-2,5-dihydrothiopyran
CID 102330988
1-Ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene
CID 12947671
2-Ethyl-4-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
CID 117849093
1,3,4,6-Tetrafluoro-5-hexylsulfanyl-2-methylcyclohexene
CID 147651616
4-Fluoro-7,8-dimethyl-3-(trifluoromethyl)-1,2,10-trithiaspiro[4.5]deca-3,7-diene
CID 12015587
4-Fluoro-7,8-dimethyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,10-trithiaspiro[4.5]deca-3,7-diene
CID 12015588
4,5-dimethyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-thiopyran
CID 14145341

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene (CID 86007747) is 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene is CC1=C(C)CC2(SC1)SC(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene?
The InChIKey is AMADSEUOIVDLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6S2/c1-5-3-7(17-4-6(5)2)8(11,12)9(13,14)10(15,16)18-7/h3-4H2,1-2H3.
What are the key properties of 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene?
2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene has a molecular weight of 308.31 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene is sourced from PubChem (CID 86007747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).