[(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene

C15H10F4S — CID 10935397

IUPAC[(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene
SMILESF/C(=C(/Sc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H10F4S/c16-14(15(17,18)19)13(11-7-3-1-4-8-11)20-12-9-5-2-6-10-12/h1-10H/b14-13+
InChIKeyYSGWFIHKADDMMB-BUHFOSPRSA-N
MW298.30 g/mol
LogP5.68
Rot. Bonds3

About [(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene

[(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene (PubChem CID 10935397) has the molecular formula C15H10F4S and a molecular weight of 298.30 g/mol. Its IUPAC name is [(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene
PubChem CID10935397
Molecular FormulaC15H10F4S
Molecular Weight298.30 g/mol
Exact Mass298.04
IUPAC Name[(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene
SMILESF/C(=C(/Sc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H10F4S/c16-14(15(17,18)19)13(11-7-3-1-4-8-11)20-12-9-5-2-6-10-12/h1-10H/b14-13+
InChIKeyYSGWFIHKADDMMB-BUHFOSPRSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.30
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl phenyl sulfide
CID 13255
Benzyl phenyl sulfoxide
CID 239581
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Benzene, 1-methyl-4-(phenylthio)-
CID 138011
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
Phenyl styryl sulfide
CID 611297
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
Benzyl 2,2,2-trifluoroethyl sulfide
CID 2737790
4-(Trifluoromethylthio)toluene
CID 2777908
Dibenzo[b,f]thiepin
CID 136074
1-Methyl-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzene
CID 2743786

Frequently Asked Questions

What is the IUPAC name of [(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene?
The IUPAC name of [(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene (CID 10935397) is [(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene is F/C(=C(/Sc1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene?
The InChIKey is YSGWFIHKADDMMB-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H10F4S/c16-14(15(17,18)19)13(11-7-3-1-4-8-11)20-12-9-5-2-6-10-12/h1-10H/b14-13+.
What are the key properties of [(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene?
[(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene has a molecular weight of 298.30 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 10935397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).