[(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene

C17H23F3S — CID 15259644

IUPAC[(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene
SMILESCCCCCCS/C(=C\CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C17H23F3S/c1-2-3-4-8-14-21-16(17(18,19)20)13-9-12-15-10-6-5-7-11-15/h5-7,10-11,13H,2-4,8-9,12,14H2,1H3/b16-13-
InChIKeyIFIVGBWCFKSPSF-SSZFMOIBSA-N
MW316.43 g/mol
LogP6.38
Rot. Bonds9

About [(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene

[(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene (PubChem CID 15259644) has the molecular formula C17H23F3S and a molecular weight of 316.43 g/mol. Its IUPAC name is [(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene.

Molecular Properties

Compound Name[(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene
PubChem CID15259644
Molecular FormulaC17H23F3S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name[(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene
SMILESCCCCCCS/C(=C\CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C17H23F3S/c1-2-3-4-8-14-21-16(17(18,19)20)13-9-12-15-10-6-5-7-11-15/h5-7,10-11,13H,2-4,8-9,12,14H2,1H3/b16-13-
InChIKeyIFIVGBWCFKSPSF-SSZFMOIBSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyl methyl sulfide
CID 13016
1,1,1-Trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one
CID 44569911
Benzene, [(hexylsulfinyl)methyl]-
CID 2249213
2-Methyl-2-phenyl-1,3-dithiolane
CID 21992
Allyl(benzyl)sulfide
CID 232030
2-Methyl-2-phenyl-m-dithiane
CID 22788
1,3-Dithiolane, 2-benzyl-2-methyl-
CID 29969
Benzyl 2,2,2-trifluoroethyl sulfide
CID 2737790
(((Difluoromethyl)sulfanyl)methyl)benzene
CID 11557371
Butanal dibenzyl thioacetal
CID 71587383
1,1,1-Trifluoro-3-(2-phenylethylsulfanyl)propane-2,2-diol
CID 44569912
1,1,1-Trifluoro-3-(3-phenylpropylsulfanyl)propan-2-one
CID 76320271

Frequently Asked Questions

What is the IUPAC name of [(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene?
The IUPAC name of [(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene (CID 15259644) is [(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene.
What is the SMILES notation for [(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene?
The canonical SMILES for [(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene is CCCCCCS/C(=C\CCc1ccccc1)C(F)(F)F.
What is the InChIKey of [(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene?
The InChIKey is IFIVGBWCFKSPSF-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H23F3S/c1-2-3-4-8-14-21-16(17(18,19)20)13-9-12-15-10-6-5-7-11-15/h5-7,10-11,13H,2-4,8-9,12,14H2,1H3/b16-13-.
What are the key properties of [(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene?
[(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene has a molecular weight of 316.43 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5,5,5-trifluoro-4-hexylsulfanylpent-3-enyl]benzene is sourced from PubChem (CID 15259644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).