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

C26H12Cl4F6O — CID 20501859

IUPAC2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccccc1-c1ccc(Oc2ccc(-c3ccccc3C(F)(F)F)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C26H12Cl4F6O/c27-21-15(13-5-1-3-7-17(13)25(31,32)33)9-11-19(23(21)29)37-20-12-10-16(22(28)24(20)30)14-6-2-4-8-18(14)26(34,35)36/h1-12H
InChIKeyLBJPICTWONMPOZ-UHFFFAOYSA-N
MW596.18 g/mol
LogP11.46
Rot. Bonds4

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

2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 20501859) has the molecular formula C26H12Cl4F6O and a molecular weight of 596.18 g/mol. Its IUPAC name is 2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene
PubChem CID20501859
Molecular FormulaC26H12Cl4F6O
Molecular Weight596.18 g/mol
Exact Mass593.95
IUPAC Name2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccccc1-c1ccc(Oc2ccc(-c3ccccc3C(F)(F)F)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C26H12Cl4F6O/c27-21-15(13-5-1-3-7-17(13)25(31,32)33)9-11-19(23(21)29)37-20-12-10-16(22(28)24(20)30)14-6-2-4-8-18(14)26(34,35)36/h1-12H
InChIKeyLBJPICTWONMPOZ-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

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Related Compounds

2-Chloro-4-[2-(3-chloro-4-phenylmethoxyphenyl)-1,1,2,2-tetrafluoroethyl]-1-phenylmethoxybenzene
CID 12084322
6-[2,3,6-Trichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 19978827
1,2-Dichloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-4-[3,4-dichloro-2-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]benzene
CID 21546814
1-Chloro-3-[2-[4-[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethyl]phenoxy]phenyl]-1,1,2,2-tetrafluoroethyl]benzene
CID 22336566
1-Chloro-3-[3-[4-[4-[3-(3-chlorophenyl)-1,1,2,2,3,3-hexafluoropropyl]phenoxy]phenyl]-1,1,2,2,3,3-hexafluoropropyl]benzene
CID 22603562
2-Chloro-1-[2-chloro-4-[3-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]-4-(trifluoromethyl)benzene
CID 57116830
2-[2,6-Dichloro-3-fluoro-4-(trifluoromethyl)phenoxy]naphthalene
CID 57129033
1,4-Dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene
CID 58658214
5-[[4-(4-But-3-enylphenyl)-2-chloro-6-fluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene
CID 59583239
1-Chloro-5-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-3-fluorobenzene
CID 87528002
5-[[4-(4-But-3-enyl-2-fluorophenyl)-2-chloro-6-fluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene
CID 87528022
1,2-Dichloro-3-[3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]phenoxy]benzene
CID 88056118

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene (CID 20501859) is 2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccccc1-c1ccc(Oc2ccc(-c3ccccc3C(F)(F)F)c(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is LBJPICTWONMPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12Cl4F6O/c27-21-15(13-5-1-3-7-17(13)25(31,32)33)9-11-19(23(21)29)37-20-12-10-16(22(28)24(20)30)14-6-2-4-8-18(14)26(34,35)36/h1-12H.
What are the key properties of 2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene?
2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]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 2,3-dichloro-1-[2,3-dichloro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 20501859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).