1,3-bis[3-(trifluoromethoxy)phenoxy]benzene

C20H12F6O4 — CID 154161092

IUPAC1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
SMILESFC(F)(F)Oc1cccc(Oc2cccc(Oc3cccc(OC(F)(F)F)c3)c2)c1
InChIInChI=1S/C20H12F6O4/c21-19(22,23)29-17-8-2-6-15(11-17)27-13-4-1-5-14(10-13)28-16-7-3-9-18(12-16)30-20(24,25)26/h1-12H
InChIKeyYSPJPVNDXAQJRN-UHFFFAOYSA-N
MW430.30 g/mol
LogP7.07
Rot. Bonds6

About 1,3-bis[3-(trifluoromethoxy)phenoxy]benzene

1,3-bis[3-(trifluoromethoxy)phenoxy]benzene (PubChem CID 154161092) has the molecular formula C20H12F6O4 and a molecular weight of 430.30 g/mol. Its IUPAC name is 1,3-bis[3-(trifluoromethoxy)phenoxy]benzene.

Molecular Properties

Compound Name1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
PubChem CID154161092
Molecular FormulaC20H12F6O4
Molecular Weight430.30 g/mol
Exact Mass430.06
IUPAC Name1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
SMILESFC(F)(F)Oc1cccc(Oc2cccc(Oc3cccc(OC(F)(F)F)c3)c2)c1
InChIInChI=1S/C20H12F6O4/c21-19(22,23)29-17-8-2-6-15(11-17)27-13-4-1-5-14(10-13)28-16-7-3-9-18(12-16)30-20(24,25)26/h1-12H
InChIKeyYSPJPVNDXAQJRN-UHFFFAOYSA-N
XLogP7.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.30
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
[3-(trifluoromethoxy)phenyl] acetate
CID 20717735
[3-(trifluoromethoxy)phenyl] methanesulfonate
CID 18424473
ethane;3-(trifluoromethoxy)phenol
CID 143201974
trifluoromethoxybenzene
CID 157402708
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(trifluoromethoxy)phenoxy]benzene?
The IUPAC name of 1,3-bis[3-(trifluoromethoxy)phenoxy]benzene (CID 154161092) is 1,3-bis[3-(trifluoromethoxy)phenoxy]benzene.
What is the SMILES notation for 1,3-bis[3-(trifluoromethoxy)phenoxy]benzene?
The canonical SMILES for 1,3-bis[3-(trifluoromethoxy)phenoxy]benzene is FC(F)(F)Oc1cccc(Oc2cccc(Oc3cccc(OC(F)(F)F)c3)c2)c1.
What is the InChIKey of 1,3-bis[3-(trifluoromethoxy)phenoxy]benzene?
The InChIKey is YSPJPVNDXAQJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6O4/c21-19(22,23)29-17-8-2-6-15(11-17)27-13-4-1-5-14(10-13)28-16-7-3-9-18(12-16)30-20(24,25)26/h1-12H.
What are the key properties of 1,3-bis[3-(trifluoromethoxy)phenoxy]benzene?
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene has a molecular weight of 430.30 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-(trifluoromethoxy)phenoxy]benzene is sourced from PubChem (CID 154161092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).