(E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene

C8H9F7S — CID 87187712

IUPAC(E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
SMILESCSC/C=C(\C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7S/c1-5(3-4-16-2)6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3/b5-3+
InChIKeyMZHOJSSHZYIRFJ-HWKANZROSA-N
MW270.21 g/mol
LogP4.13
Rot. Bonds4

About (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene

(E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene (PubChem CID 87187712) has the molecular formula C8H9F7S and a molecular weight of 270.21 g/mol. Its IUPAC name is (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene.

Molecular Properties

Compound Name(E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
PubChem CID87187712
Molecular FormulaC8H9F7S
Molecular Weight270.21 g/mol
Exact Mass270.03
IUPAC Name(E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
SMILESCSC/C=C(\C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7S/c1-5(3-4-16-2)6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3/b5-3+
InChIKeyMZHOJSSHZYIRFJ-HWKANZROSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-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

(2E)-3,7-dimethyl-1-(trifluoromethylsulfanyl)octa-2,6-diene
CID 125476027
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
(3Z)-3-ethylidene-4,4-difluorothiane
CID 68033467
(E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
CID 87187516
(Z)-1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 87187664
(E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene
CID 87187685
(E)-3-ethyl-4,4,5,5,6,6,6-heptafluoro-1-methylsulfanylhex-2-ene
CID 87187781
4,4,5,5,5-Pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
CID 90919734
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

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene?
The IUPAC name of (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene (CID 87187712) is (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene.
What is the SMILES notation for (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene?
The canonical SMILES for (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene is CSC/C=C(\C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene?
The InChIKey is MZHOJSSHZYIRFJ-HWKANZROSA-N. The full InChI is InChI=1S/C8H9F7S/c1-5(3-4-16-2)6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene?
(E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene has a molecular weight of 270.21 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene is sourced from PubChem (CID 87187712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).