1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene

C26H16F6O2S2 — CID 87179815

IUPAC1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene
SMILESFC(F)(F)c1ccccc1Oc1ccccc1SSc1ccccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C26H16F6O2S2/c27-25(28,29)17-9-1-3-11-19(17)33-21-13-5-7-15-23(21)35-36-24-16-8-6-14-22(24)34-20-12-4-2-10-18(20)26(30,31)32/h1-16H
InChIKeyQOFFSXGHUOKUDS-UHFFFAOYSA-N
MW538.53 g/mol
LogP10.11
Rot. Bonds7

About 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene

1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene (PubChem CID 87179815) has the molecular formula C26H16F6O2S2 and a molecular weight of 538.53 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene
PubChem CID87179815
Molecular FormulaC26H16F6O2S2
Molecular Weight538.53 g/mol
Exact Mass538.05
IUPAC Name1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene
SMILESFC(F)(F)c1ccccc1Oc1ccccc1SSc1ccccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C26H16F6O2S2/c27-25(28,29)17-9-1-3-11-19(17)33-21-13-5-7-15-23(21)35-36-24-16-8-6-14-22(24)34-20-12-4-2-10-18(20)26(30,31)32/h1-16H
InChIKeyQOFFSXGHUOKUDS-UHFFFAOYSA-N
XLogP10.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.53
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene?
The IUPAC name of 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene (CID 87179815) is 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene?
The canonical SMILES for 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene is FC(F)(F)c1ccccc1Oc1ccccc1SSc1ccccc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene?
The InChIKey is QOFFSXGHUOKUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6O2S2/c27-25(28,29)17-9-1-3-11-19(17)33-21-13-5-7-15-23(21)35-36-24-16-8-6-14-22(24)34-20-12-4-2-10-18(20)26(30,31)32/h1-16H.
What are the key properties of 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene?
1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene has a molecular weight of 538.53 g/mol, XLogP of 10.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2-[2-[[2-[2-(trifluoromethyl)phenoxy]phenyl]disulfanyl]phenoxy]benzene is sourced from PubChem (CID 87179815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).