[(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene

C13H13F3S — CID 15254375

IUPAC[(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene
SMILESCCS/C(=C\C=C\c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H13F3S/c1-2-17-12(13(14,15)16)10-6-9-11-7-4-3-5-8-11/h3-10H,2H2,1H3/b9-6+,12-10-
InChIKeyVNYBODQVDWWRIX-QJUYYABZSA-N
MW258.31 g/mol
LogP4.90
Rot. Bonds4

About [(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene

[(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene (PubChem CID 15254375) has the molecular formula C13H13F3S and a molecular weight of 258.31 g/mol. Its IUPAC name is [(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene
PubChem CID15254375
Molecular FormulaC13H13F3S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name[(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene
SMILESCCS/C(=C\C=C\c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H13F3S/c1-2-17-12(13(14,15)16)10-6-9-11-7-4-3-5-8-11/h3-10H,2H2,1H3/b9-6+,12-10-
InChIKeyVNYBODQVDWWRIX-QJUYYABZSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10683046
ethyl (2Z,4E)-5-phenyl-2-(2,2,2-trifluoroacetyl)penta-2,4-dienoate
CID 11403770
[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene
CID 135002683
[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene
CID 134853789
4-methylpenta-1,3-dienylbenzene
CID 3614395
(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 145166543
2-[(2Z,4E)-5-phenylpenta-2,4-dien-2-yl]aniline;2,2,2-trifluoroacetic acid
CID 173031411
4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane
CID 154711820
2,5-diphenylpenta-2,4-dienal
CID 173316530
(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
[(1E,3E)-4-methylocta-1,3-dienyl]benzene
CID 13273746
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene (CID 15254375) is [(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene is CCS/C(=C\C=C\c1ccccc1)C(F)(F)F.
What is the InChIKey of [(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene?
The InChIKey is VNYBODQVDWWRIX-QJUYYABZSA-N. The full InChI is InChI=1S/C13H13F3S/c1-2-17-12(13(14,15)16)10-6-9-11-7-4-3-5-8-11/h3-10H,2H2,1H3/b9-6+,12-10-.
What are the key properties of [(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene?
[(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene has a molecular weight of 258.31 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene is sourced from PubChem (CID 15254375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).