(Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene

C8H5F11S — CID 11131660

IUPAC(Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene
SMILESCCS/C(=C(\C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F11S/c1-2-20-4(7(14,15)16)3(6(11,12)13)5(9,10)8(17,18)19/h2H2,1H3/b4-3-
InChIKeyQVUPMEYQSQTEOE-ARJAWSKDSA-N
MW342.17 g/mol
LogP5.32
Rot. Bonds3

About (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene

(Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene (PubChem CID 11131660) has the molecular formula C8H5F11S and a molecular weight of 342.17 g/mol. Its IUPAC name is (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name(Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene
PubChem CID11131660
Molecular FormulaC8H5F11S
Molecular Weight342.17 g/mol
Exact Mass341.99
IUPAC Name(Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene
SMILESCCS/C(=C(\C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F11S/c1-2-20-4(7(14,15)16)3(6(11,12)13)5(9,10)8(17,18)19/h2H2,1H3/b4-3-
InChIKeyQVUPMEYQSQTEOE-ARJAWSKDSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.17
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Trifluoromethyl-3-t-butylthioperfluoro-2-pentene
CID 12828094
5,5-Difluoro-7-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-dithiepine
CID 13464249
2-Trifluoromethyl-3-ethylthioperfluoro-2-pentene
CID 12828103
6-Fluoro-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85975912
2,4-Diethylthioperfluoro-(4-methyl-2-pentene)
CID 129812399
(E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
CID 12828099
1-Ethylsulfanyl-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene
CID 12947671
3-Ethylsulfanyl-1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 23262448
4,4,5,5,5-Pentafluoro-3-methyl-1-propylsulfanylpent-2-ene
CID 90974987
1-Ethylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91233573
3-Ethyl-1-ethylsulfanyl-4,4,5,5,5-pentafluoropent-2-ene
CID 91587955
1-Ethylsulfanyl-4,4,5,5,5-pentafluoro-3-methylpent-2-ene
CID 91804152

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene?
The IUPAC name of (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene (CID 11131660) is (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene?
The canonical SMILES for (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene is CCS/C(=C(\C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene?
The InChIKey is QVUPMEYQSQTEOE-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H5F11S/c1-2-20-4(7(14,15)16)3(6(11,12)13)5(9,10)8(17,18)19/h2H2,1H3/b4-3-.
What are the key properties of (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene?
(Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene has a molecular weight of 342.17 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 11131660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).