1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene

C20H8Cl4F6O2 — CID 13059277

IUPAC1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)c(Oc2cccc(Oc3c(Cl)cc(C(F)(F)F)cc3Cl)c2)c(Cl)c1
InChIInChI=1S/C20H8Cl4F6O2/c21-13-4-9(19(25,26)27)5-14(22)17(13)31-11-2-1-3-12(8-11)32-18-15(23)6-10(7-16(18)24)20(28,29)30/h1-8H
InChIKeyGIJOGRNPWHUYFY-UHFFFAOYSA-N
MW536.08 g/mol
LogP9.92
Rot. Bonds4

About 1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene

1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene (PubChem CID 13059277) has the molecular formula C20H8Cl4F6O2 and a molecular weight of 536.08 g/mol. Its IUPAC name is 1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene
PubChem CID13059277
Molecular FormulaC20H8Cl4F6O2
Molecular Weight536.08 g/mol
Exact Mass533.92
IUPAC Name1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)c(Oc2cccc(Oc3c(Cl)cc(C(F)(F)F)cc3Cl)c2)c(Cl)c1
InChIInChI=1S/C20H8Cl4F6O2/c21-13-4-9(19(25,26)27)5-14(22)17(13)31-11-2-1-3-12(8-11)32-18-15(23)6-10(7-16(18)24)20(28,29)30/h1-8H
InChIKeyGIJOGRNPWHUYFY-UHFFFAOYSA-N
XLogP9.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.08
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene?
The IUPAC name of 1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene (CID 13059277) is 1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene is FC(F)(F)c1cc(Cl)c(Oc2cccc(Oc3c(Cl)cc(C(F)(F)F)cc3Cl)c2)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene?
The InChIKey is GIJOGRNPWHUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8Cl4F6O2/c21-13-4-9(19(25,26)27)5-14(22)17(13)31-11-2-1-3-12(8-11)32-18-15(23)6-10(7-16(18)24)20(28,29)30/h1-8H.
What are the key properties of 1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene?
1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene has a molecular weight of 536.08 g/mol, XLogP of 9.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)benzene is sourced from PubChem (CID 13059277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).