2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene

C20H10Cl2F6O2 — CID 12960208

IUPAC2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Oc2cccc(Oc3ccc(C(F)(F)F)cc3Cl)c2)c(Cl)c1
InChIInChI=1S/C20H10Cl2F6O2/c21-15-8-11(19(23,24)25)4-6-17(15)29-13-2-1-3-14(10-13)30-18-7-5-12(9-16(18)22)20(26,27)28/h1-10H
InChIKeyYNAYWSDJWWDWRR-UHFFFAOYSA-N
MW467.19 g/mol
LogP8.62
Rot. Bonds4

About 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene

2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene (PubChem CID 12960208) has the molecular formula C20H10Cl2F6O2 and a molecular weight of 467.19 g/mol. Its IUPAC name is 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene
PubChem CID12960208
Molecular FormulaC20H10Cl2F6O2
Molecular Weight467.19 g/mol
Exact Mass466.00
IUPAC Name2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Oc2cccc(Oc3ccc(C(F)(F)F)cc3Cl)c2)c(Cl)c1
InChIInChI=1S/C20H10Cl2F6O2/c21-15-8-11(19(23,24)25)4-6-17(15)29-13-2-1-3-14(10-13)30-18-7-5-12(9-16(18)22)20(26,27)28/h1-10H
InChIKeyYNAYWSDJWWDWRR-UHFFFAOYSA-N
XLogP8.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.19
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene (CID 12960208) is 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(Oc2cccc(Oc3ccc(C(F)(F)F)cc3Cl)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene?
The InChIKey is YNAYWSDJWWDWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F6O2/c21-15-8-11(19(23,24)25)4-6-17(15)29-13-2-1-3-14(10-13)30-18-7-5-12(9-16(18)22)20(26,27)28/h1-10H.
What are the key properties of 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene?
2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene has a molecular weight of 467.19 g/mol, XLogP of 8.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 12960208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).