1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene

C14H8F6S — CID 12776871

IUPAC1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene
SMILESFC(F)(F)c1ccc(Sc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H8F6S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20/h1-8H
InChIKeyCVQSDGUQZODCKQ-UHFFFAOYSA-N
MW322.27 g/mol
LogP5.88
Rot. Bonds2

About 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene

1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene (PubChem CID 12776871) has the molecular formula C14H8F6S and a molecular weight of 322.27 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene
PubChem CID12776871
Molecular FormulaC14H8F6S
Molecular Weight322.27 g/mol
Exact Mass322.03
IUPAC Name1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene
SMILESFC(F)(F)c1ccc(Sc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H8F6S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20/h1-8H
InChIKeyCVQSDGUQZODCKQ-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.27
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(methylthio)-
CID 69334
Benzyl phenyl sulfide
CID 13255
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
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
4-(Ethylthio)toluene
CID 136431
1-(Benzylsulfinyl)-4-methylbenzene
CID 139139
4-(Trifluoromethylthio)toluene
CID 2777908

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene?
The IUPAC name of 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene (CID 12776871) is 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene.
What is the SMILES notation for 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene?
The canonical SMILES for 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene is FC(F)(F)c1ccc(Sc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene?
The InChIKey is CVQSDGUQZODCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20/h1-8H.
What are the key properties of 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene?
1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene has a molecular weight of 322.27 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene is sourced from PubChem (CID 12776871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).