1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene

C16H12F6OSe2 — CID 86112072

IUPAC1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene
SMILESFC(F)(F)c1cccc([Se]COC[Se]c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H12F6OSe2/c17-15(18,19)11-3-1-5-13(7-11)24-9-23-10-25-14-6-2-4-12(8-14)16(20,21)22/h1-8H,9-10H2
InChIKeyNXIYEZJTJYCGQC-UHFFFAOYSA-N
MW492.18 g/mol
LogP3.02
Rot. Bonds6

About 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene

1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene (PubChem CID 86112072) has the molecular formula C16H12F6OSe2 and a molecular weight of 492.18 g/mol. Its IUPAC name is 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene
PubChem CID86112072
Molecular FormulaC16H12F6OSe2
Molecular Weight492.18 g/mol
Exact Mass493.91
IUPAC Name1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene
SMILESFC(F)(F)c1cccc([Se]COC[Se]c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H12F6OSe2/c17-15(18,19)11-3-1-5-13(7-11)24-9-23-10-25-14-6-2-4-12(8-14)16(20,21)22/h1-8H,9-10H2
InChIKeyNXIYEZJTJYCGQC-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.18
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dibenzyl diselenide
CID 95955
1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11287739
1,3-difluoro-5-[(Z)-2-(4-fluorophenyl)ethenyl]benzene
CID 11310856
1-fluoro-4-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 816851
Tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene, 2,2,3,3,8,8,9,9,-octafluoro-
CID 137896
cis-2,3,4,5,6-Pentafluorostilbene
CID 24787997
3,4'-Difluorostilbene
CID 11148621
1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene
CID 11746024
2,4-difluoro-1-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 76326519
1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene
CID 134148569
2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene
CID 134154807
Diselenide, bis[3,5-bis(trifluoromethyl)phenyl]
CID 10841050

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene?
The IUPAC name of 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene (CID 86112072) is 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene?
The canonical SMILES for 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene is FC(F)(F)c1cccc([Se]COC[Se]c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene?
The InChIKey is NXIYEZJTJYCGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6OSe2/c17-15(18,19)11-3-1-5-13(7-11)24-9-23-10-25-14-6-2-4-12(8-14)16(20,21)22/h1-8H,9-10H2.
What are the key properties of 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene?
1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene has a molecular weight of 492.18 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]selanylmethoxymethylselanyl]benzene is sourced from PubChem (CID 86112072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).