(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene

C9H11F7S — CID 134896906

IUPAC(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
SMILESCCSCC/C=C/C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F7S/c1-2-17-6-4-3-5-7(10,11)8(12,13)9(14,15)16/h3,5H,2,4,6H2,1H3/b5-3+
InChIKeyUQHPPJKDDZGXMV-HWKANZROSA-N
MW284.24 g/mol
LogP4.52
Rot. Bonds6

About (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene

(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene (PubChem CID 134896906) has the molecular formula C9H11F7S and a molecular weight of 284.24 g/mol. Its IUPAC name is (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
PubChem CID134896906
Molecular FormulaC9H11F7S
Molecular Weight284.24 g/mol
Exact Mass284.05
IUPAC Name(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
SMILESCCSCC/C=C/C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F7S/c1-2-17-6-4-3-5-7(10,11)8(12,13)9(14,15)16/h3,5H,2,4,6H2,1H3/b5-3+
InChIKeyUQHPPJKDDZGXMV-HWKANZROSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-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

1-(Butylsulfanyl)-3,4,4,5,5,6,6,6-octafluorohex-2-ene
CID 71429344
6-Fluoro-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85973980
(E)-1-ethylsulfinyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
CID 134994716
butyl (E)-2-fluoro-2-(trifluoromethyl)hex-4-enedithioate
CID 177576695
(E)-4,4,5,5,6,6,6-heptafluoro-1-methylsulfanylhex-2-ene
CID 87187640
(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
CID 88885976
3-Ethyl-4,4,5,5,5-pentafluoro-1-propylsulfanylpent-2-ene
CID 90955522
4,4,5,5,5-Pentafluoro-3-methyl-1-propylsulfanylpent-2-ene
CID 90974987
1-Ethylsulfanyl-4,4,5,5,6,6,6-heptafluoro-3-methylhex-2-ene
CID 91003034
3-Ethyl-4,4,5,5,6,6,6-heptafluoro-1-propylsulfanylhex-2-ene
CID 91064009
1-Propylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91339078
3-Ethyl-1-ethylsulfanyl-4,4,5,5,6,6,6-heptafluorohex-2-ene
CID 91534912

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene?
The IUPAC name of (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene (CID 134896906) is (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene.
What is the SMILES notation for (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene?
The canonical SMILES for (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene is CCSCC/C=C/C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene?
The InChIKey is UQHPPJKDDZGXMV-HWKANZROSA-N. The full InChI is InChI=1S/C9H11F7S/c1-2-17-6-4-3-5-7(10,11)8(12,13)9(14,15)16/h3,5H,2,4,6H2,1H3/b5-3+.
What are the key properties of (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene?
(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene has a molecular weight of 284.24 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene is sourced from PubChem (CID 134896906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).