pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane

C7H9F5S — CID 143935419

IUPACpentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane
SMILESC=C(C)/C=C\C(=C)S(F)(F)(F)(F)F
InChIInChI=1S/C7H9F5S/c1-6(2)4-5-7(3)13(8,9,10,11)12/h4-5H,1,3H2,2H3/b5-4-
InChIKeyRIEBRWOUVFEDET-PLNGDYQASA-N
MW220.21 g/mol
LogP4.93
Rot. Bonds3

About pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane

pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane (PubChem CID 143935419) has the molecular formula C7H9F5S and a molecular weight of 220.21 g/mol. Its IUPAC name is pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane
PubChem CID143935419
Molecular FormulaC7H9F5S
Molecular Weight220.21 g/mol
Exact Mass220.03
IUPAC Namepentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane
SMILESC=C(C)/C=C\C(=C)S(F)(F)(F)(F)F
InChIInChI=1S/C7H9F5S/c1-6(2)4-5-7(3)13(8,9,10,11)12/h4-5H,1,3H2,2H3/b5-4-
InChIKeyRIEBRWOUVFEDET-PLNGDYQASA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 54.93
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-(1,1-difluoroethyl)hepta-1,3,5-trien-2-yl] thiohypofluorite
CID 134242094
Pentafluoro-(4-methylcyclohexa-2,4-dien-1-yl)-lambda6-sulfane
CID 134405226
[(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
[(3E,5Z)-6-methylocta-1,3,5-trien-3-yl] thiohypofluorite
CID 142113091
[(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite
CID 143597734
[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-lambda4-sulfane
CID 143617726
pentafluoro-[(3E,5Z)-octa-3,5-dien-4-yl]-lambda6-sulfane
CID 143815686
[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
CID 143818483
Pentafluoro-(3-methylcyclohepta-1,3,6-trien-1-yl)-lambda6-sulfane
CID 143818499
[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]-pentafluoro-lambda6-sulfane
CID 143857757

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane?
The IUPAC name of pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane (CID 143935419) is pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane is C=C(C)/C=C\C(=C)S(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane?
The InChIKey is RIEBRWOUVFEDET-PLNGDYQASA-N. The full InChI is InChI=1S/C7H9F5S/c1-6(2)4-5-7(3)13(8,9,10,11)12/h4-5H,1,3H2,2H3/b5-4-.
What are the key properties of pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane?
pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane has a molecular weight of 220.21 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-λ6-sulfane is sourced from PubChem (CID 143935419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).