1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene

C14H8F6O2S2 — CID 86088132

IUPAC1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
SMILESFC(F)(F)Oc1ccc(SSc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H8F6O2S2/c15-13(16,17)21-9-1-5-11(6-2-9)23-24-12-7-3-10(4-8-12)22-14(18,19)20/h1-8H
InChIKeyWXWLAXQXRZUKAI-UHFFFAOYSA-N
MW386.34 g/mol
LogP6.28
Rot. Bonds5

About 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene

1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene (PubChem CID 86088132) has the molecular formula C14H8F6O2S2 and a molecular weight of 386.34 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
PubChem CID86088132
Molecular FormulaC14H8F6O2S2
Molecular Weight386.34 g/mol
Exact Mass385.99
IUPAC Name1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
SMILESFC(F)(F)Oc1ccc(SSc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H8F6O2S2/c15-13(16,17)21-9-1-5-11(6-2-9)23-24-12-7-3-10(4-8-12)22-14(18,19)20/h1-8H
InChIKeyWXWLAXQXRZUKAI-UHFFFAOYSA-N
XLogP6.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.34
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(disulfanyl)-4-(trifluoromethoxy)benzene
CID 87458769
S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine
CID 87768766
4-[4-(trifluoromethoxy)phenyl]sulfanylbenzenethiol
CID 177164291
trifluoromethoxybenzene
CID 157402708
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
trifluoromethoxybenzene fluoride
CID 158305019
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
1-(2-methylbutylsulfanyl)-4-(trifluoromethoxy)benzene
CID 142421289

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene?
The IUPAC name of 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene (CID 86088132) is 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene.
What is the SMILES notation for 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene?
The canonical SMILES for 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene is FC(F)(F)Oc1ccc(SSc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene?
The InChIKey is WXWLAXQXRZUKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O2S2/c15-13(16,17)21-9-1-5-11(6-2-9)23-24-12-7-3-10(4-8-12)22-14(18,19)20/h1-8H.
What are the key properties of 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene?
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene has a molecular weight of 386.34 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene is sourced from PubChem (CID 86088132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).