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

C26H12Cl4F6O — CID 57116830

IUPAC2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Oc3ccc(-c4ccc(C(F)(F)F)cc4Cl)c(Cl)c3)cc2Cl)c(Cl)c1
InChIInChI=1S/C26H12Cl4F6O/c27-21-9-13(25(31,32)33)1-5-17(21)19-7-3-15(11-23(19)29)37-16-4-8-20(24(30)12-16)18-6-2-14(10-22(18)28)26(34,35)36/h1-12H
InChIKeyLLHMOPKLXUUHGP-UHFFFAOYSA-N
MW596.18 g/mol
LogP11.46
Rot. Bonds4

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

2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene (PubChem CID 57116830) has the molecular formula C26H12Cl4F6O and a molecular weight of 596.18 g/mol. Its IUPAC name is 2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene
PubChem CID57116830
Molecular FormulaC26H12Cl4F6O
Molecular Weight596.18 g/mol
Exact Mass593.95
IUPAC Name2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Oc3ccc(-c4ccc(C(F)(F)F)cc4Cl)c(Cl)c3)cc2Cl)c(Cl)c1
InChIInChI=1S/C26H12Cl4F6O/c27-21-9-13(25(31,32)33)1-5-17(21)19-7-3-15(11-23(19)29)37-16-4-8-20(24(30)12-16)18-6-2-14(10-22(18)28)26(34,35)36/h1-12H
InChIKeyLLHMOPKLXUUHGP-UHFFFAOYSA-N
XLogP11.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.18
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene (CID 57116830) is 2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(-c2ccc(Oc3ccc(-c4ccc(C(F)(F)F)cc4Cl)c(Cl)c3)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene?
The InChIKey is LLHMOPKLXUUHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12Cl4F6O/c27-21-9-13(25(31,32)33)1-5-17(21)19-7-3-15(11-23(19)29)37-16-4-8-20(24(30)12-16)18-6-2-14(10-22(18)28)26(34,35)36/h1-12H.
What are the key properties of 2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene?
2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene has a molecular weight of 596.18 g/mol, XLogP of 11.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 57116830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).