2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene

C19H13F3S — CID 135014493

IUPAC2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene
SMILESFC(F)(F)c1ccc(/C=C/Sc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H13F3S/c20-19(21,22)17-8-5-14(6-9-17)11-12-23-18-10-7-15-3-1-2-4-16(15)13-18/h1-13H/b12-11+
InChIKeyYHCJFKQVWUJZQJ-VAWYXSNFSA-N
MW330.37 g/mol
LogP6.62
Rot. Bonds3

About 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene

2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene (PubChem CID 135014493) has the molecular formula C19H13F3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene.

Molecular Properties

Compound Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene
PubChem CID135014493
Molecular FormulaC19H13F3S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene
SMILESFC(F)(F)c1ccc(/C=C/Sc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H13F3S/c20-19(21,22)17-8-5-14(6-9-17)11-12-23-18-10-7-15-3-1-2-4-16(15)13-18/h1-13H/b12-11+
InChIKeyYHCJFKQVWUJZQJ-VAWYXSNFSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.37
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-((4-Fluorobenzyl)sulfinyl)naphthalene
CID 141537137
1-(Phenylthio)naphthalene
CID 291319
2-(Phenylsulfanyl)naphthalene
CID 291320
2-Methylmercaptonaphthalene
CID 139022
1-[(Trifluoromethyl)thio]naphthalene
CID 102194842
Trifluoromethyl 2-naphthyl sulfide
CID 102326014
Naphthalene, 2-((phenylmethyl)thio)-
CID 264691
2-(Octadecylsulfanyl)naphthalene
CID 287482
2-(Phenylsulfinyl)naphthalene
CID 57049900
9,10-Bis(trifluoromethylthio)anthracene
CID 14149028
9-(Trifluoromethylsulfanyl)anthracene
CID 102530662
9-(Trifluoromethylsulfanyl)phenanthrene
CID 162410748

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene?
The IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene (CID 135014493) is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene.
What is the SMILES notation for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene?
The canonical SMILES for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene is FC(F)(F)c1ccc(/C=C/Sc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene?
The InChIKey is YHCJFKQVWUJZQJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H13F3S/c20-19(21,22)17-8-5-14(6-9-17)11-12-23-18-10-7-15-3-1-2-4-16(15)13-18/h1-13H/b12-11+.
What are the key properties of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene?
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene has a molecular weight of 330.37 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene is sourced from PubChem (CID 135014493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).