1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene

C8H5F9S — CID 12947671

IUPAC1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene
SMILESCCSC1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F9S/c1-2-18-4-3(7(13,14)15)5(9,10)8(16,17)6(4,11)12/h2H2,1H3
InChIKeyLSUUVKNUYSXGIQ-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.48
Rot. Bonds2

About 1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene

1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene (PubChem CID 12947671) has the molecular formula C8H5F9S and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene
PubChem CID12947671
Molecular FormulaC8H5F9S
Molecular Weight304.18 g/mol
Exact Mass304.00
IUPAC Name1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene
SMILESCCSC1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F9S/c1-2-18-4-3(7(13,14)15)5(9,10)8(16,17)6(4,11)12/h2H2,1H3
InChIKeyLSUUVKNUYSXGIQ-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Trifluoromethyl-3-ethylthioperfluoro-2-pentene
CID 12828103
6-Fluoro-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85975912
2,2,3,3,4,4-Hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene
CID 86007747
6-Ethylsulfanyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dimethyl-2,5-dihydrothiopyran
CID 102330988
3-Ethylsulfanyl-1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 23262448
4,5-Dimethyl-2-(trifluoromethyl)-3,6-dihydro-2H-thiopyran
CID 24978403
3-Ethyl-4,4,5,5,6,6,6-heptafluoro-1-propylsulfanylhex-2-ene
CID 91064009
3-Ethyl-1-ethylsulfanyl-4,4,5,5,6,6,6-heptafluorohex-2-ene
CID 91534912
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-propylsulfanylhex-2-ene
CID 91575657
2-Ethyl-4-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
CID 117849093
(E,2R)-2,4-difluoro-3-methyl-7-(3,3,3-trifluoropropylsulfanyl)hept-3-ene
CID 146847216
1,3,4,6-Tetrafluoro-5-hexylsulfanyl-2-methylcyclohexene
CID 147651616

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene?
The IUPAC name of 1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene (CID 12947671) is 1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene.
What is the SMILES notation for 1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene?
The canonical SMILES for 1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene is CCSC1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene?
The InChIKey is LSUUVKNUYSXGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9S/c1-2-18-4-3(7(13,14)15)5(9,10)8(16,17)6(4,11)12/h2H2,1H3.
What are the key properties of 1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene?
1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene has a molecular weight of 304.18 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene is sourced from PubChem (CID 12947671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).