[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane

C8H11F3S — CID 143617726

IUPAC[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane
SMILESC=C(C)/C=C(/C)C(=C)S(F)(F)F
InChIInChI=1S/C8H11F3S/c1-6(2)5-7(3)8(4)12(9,10)11/h5H,1,4H2,2-3H3/b7-5-
InChIKeyRHGNRQRTDBHFDR-ALCCZGGFSA-N
MW196.24 g/mol
LogP4.48
Rot. Bonds3

About [(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane

[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane (PubChem CID 143617726) has the molecular formula C8H11F3S and a molecular weight of 196.24 g/mol. Its IUPAC name is [(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane.

Molecular Properties

Compound Name[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane
PubChem CID143617726
Molecular FormulaC8H11F3S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane
SMILESC=C(C)/C=C(/C)C(=C)S(F)(F)F
InChIInChI=1S/C8H11F3S/c1-6(2)5-7(3)8(4)12(9,10)11/h5H,1,4H2,2-3H3/b7-5-
InChIKeyRHGNRQRTDBHFDR-ALCCZGGFSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-triene-2-thiol
CID 88863446
2-Ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol
CID 123538472
[(3Z,5E)-5-(1,1-difluoroethyl)hepta-1,3,5-trien-2-yl] thiohypofluorite
CID 134242094
[(3E)-4-methylhexa-1,3-dien-3-yl] thiohypofluorite
CID 137511422
(5-Methylcyclohepta-1,4,6-trien-1-yl) thiohypofluorite
CID 141805829
[(2E,4Z)-2-ethenylhepta-2,4-dienyl] thiohypofluorite
CID 141824765
(3Z,5E)-5-(trifluoromethyl)hepta-3,5-diene-2-thione
CID 142006488
[(3E,5Z)-6-methylocta-1,3,5-trien-3-yl] thiohypofluorite
CID 142113091
[(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite
CID 142113242
Trifluoro-[6-methyl-3-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-lambda4-sulfane
CID 143290961
[(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite
CID 143597734
pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-lambda6-sulfane
CID 143815686

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane?
The IUPAC name of [(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane (CID 143617726) is [(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane.
What is the SMILES notation for [(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane?
The canonical SMILES for [(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane is C=C(C)/C=C(/C)C(=C)S(F)(F)F.
What is the InChIKey of [(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane?
The InChIKey is RHGNRQRTDBHFDR-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H11F3S/c1-6(2)5-7(3)8(4)12(9,10)11/h5H,1,4H2,2-3H3/b7-5-.
What are the key properties of [(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane?
[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane has a molecular weight of 196.24 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-λ4-sulfane is sourced from PubChem (CID 143617726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).