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

C6H7F3S — CID 143945193

IUPACtrifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane
SMILESC=C/C=C\C(=C)S(F)(F)F
InChIInChI=1S/C6H7F3S/c1-3-4-5-6(2)10(7,8)9/h3-5H,1-2H2/b5-4-
InChIKeyYHZYBMRCOJHOHN-PLNGDYQASA-N
MW168.18 g/mol
LogP3.70
Rot. Bonds3

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

trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane (PubChem CID 143945193) has the molecular formula C6H7F3S and a molecular weight of 168.18 g/mol. Its IUPAC name is trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane
PubChem CID143945193
Molecular FormulaC6H7F3S
Molecular Weight168.18 g/mol
Exact Mass168.02
IUPAC Nametrifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane
SMILESC=C/C=C\C(=C)S(F)(F)F
InChIInChI=1S/C6H7F3S/c1-3-4-5-6(2)10(7,8)9/h3-5H,1-2H2/b5-4-
InChIKeyYHZYBMRCOJHOHN-PLNGDYQASA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 53.70
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)-hexa-1,3,5-triene-2-sulfonamide
CID 126541743
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
2-bromohexa-1,3,5-triene
CID 91549125
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
sodium (3Z)-hexa-1,3,5-triene-2-thiolate
CID 145184623
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
7-methyl-5-methylideneocta-1,3-diene
CID 123347446
hexa-1,3,5-trien-2-yl(trimethyl)azanium
CID 123638146
2-methylsulfanylhexa-1,3,5-triene
CID 123672655
(3Z)-hexa-1,3,5-triene-2-thiol;propa-1,2-diene
CID 144863707

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane?
The IUPAC name of trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane (CID 143945193) is trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane.
What is the SMILES notation for trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane?
The canonical SMILES for trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane is C=C/C=C\C(=C)S(F)(F)F.
What is the InChIKey of trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane?
The InChIKey is YHZYBMRCOJHOHN-PLNGDYQASA-N. The full InChI is InChI=1S/C6H7F3S/c1-3-4-5-6(2)10(7,8)9/h3-5H,1-2H2/b5-4-.
What are the key properties of trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane?
trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane has a molecular weight of 168.18 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane is sourced from PubChem (CID 143945193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).