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

C26H16F6O2 — CID 90828421

IUPAC1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene
SMILESFC(F)(F)c1ccccc1Oc1ccccc1-c1ccccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C26H16F6O2/c27-25(28,29)19-11-3-7-15-23(19)33-21-13-5-1-9-17(21)18-10-2-6-14-22(18)34-24-16-8-4-12-20(24)26(30,31)32/h1-16H
InChIKeyYZIKMPHVBDNTKW-UHFFFAOYSA-N
MW474.40 g/mol
LogP8.98
Rot. Bonds5

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

1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene (PubChem CID 90828421) has the molecular formula C26H16F6O2 and a molecular weight of 474.40 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene
PubChem CID90828421
Molecular FormulaC26H16F6O2
Molecular Weight474.40 g/mol
Exact Mass474.11
IUPAC Name1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene
SMILESFC(F)(F)c1ccccc1Oc1ccccc1-c1ccccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C26H16F6O2/c27-25(28,29)19-11-3-7-15-23(19)33-21-13-5-1-9-17(21)18-10-2-6-14-22(18)34-24-16-8-4-12-20(24)26(30,31)32/h1-16H
InChIKeyYZIKMPHVBDNTKW-UHFFFAOYSA-N
XLogP8.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.40
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Biphenylyl phenyl ether
CID 81220
1,1'-Biphenyl, mixt. with 1,1'-oxybis(benzene)
CID 24670
1-Phenoxy-4-phenylbenzene
CID 77986
Benzene, 1-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067125
4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluoro-4'-propyl-1,1'-biphenyl
CID 20654145
4,4'-Bis(2-(2-methoxyphenyl)ethenyl)-1,1'-biphenyl
CID 170381
1,2-Bis(phenoxymethyl)benzene
CID 11162091
1-(Benzyloxy)-2-(2-phenylethyl)benzene
CID 11973811
Benzene, 1,1'-(1,2-ethanediyl)bis(3-phenoxy-
CID 3046200
Cpgu 3OT
CID 20736014
4''-Butyl-4-[difluoro(3,4,5-trifluorophenoxy)methyl]-2',3,5-trifluoro-1,1':4',1''-terphenyl
CID 58051774
5-Ethyl-2-[3',5'-difluoro-4'-[difluoro(3,4,5-trifluorophenoxy)methyl]-1,1'-biphenyl-4-yl]tetrahydro-2H-pyran
CID 58995748

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene?
The IUPAC name of 1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene (CID 90828421) is 1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene?
The canonical SMILES for 1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene is FC(F)(F)c1ccccc1Oc1ccccc1-c1ccccc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene?
The InChIKey is YZIKMPHVBDNTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6O2/c27-25(28,29)19-11-3-7-15-23(19)33-21-13-5-1-9-17(21)18-10-2-6-14-22(18)34-24-16-8-4-12-20(24)26(30,31)32/h1-16H.
What are the key properties of 1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene?
1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene has a molecular weight of 474.40 g/mol, XLogP of 8.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2-[2-[2-[2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene is sourced from PubChem (CID 90828421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).