1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

C14H4Cl4F6 — CID 10971996

IUPAC1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Cl)cc(Cl)cc1-c1cc(Cl)cc(Cl)c1C(F)(F)F
InChIInChI=1S/C14H4Cl4F6/c15-5-1-7(11(9(17)3-5)13(19,20)21)8-2-6(16)4-10(18)12(8)14(22,23)24/h1-4H
InChIKeyIFGAMKAYPPLRRT-UHFFFAOYSA-N
MW427.99 g/mol
LogP8.00
Rot. Bonds1

About 1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene (PubChem CID 10971996) has the molecular formula C14H4Cl4F6 and a molecular weight of 427.99 g/mol. Its IUPAC name is 1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
PubChem CID10971996
Molecular FormulaC14H4Cl4F6
Molecular Weight427.99 g/mol
Exact Mass425.90
IUPAC Name1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Cl)cc(Cl)cc1-c1cc(Cl)cc(Cl)c1C(F)(F)F
InChIInChI=1S/C14H4Cl4F6/c15-5-1-7(11(9(17)3-5)13(19,20)21)8-2-6(16)4-10(18)12(8)14(22,23)24/h1-4H
InChIKeyIFGAMKAYPPLRRT-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.99
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-dichloro-2-(trifluoromethyl)benzenethiol
CID 151186428
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247
5-chloro-1,3-difluoro-2-(trifluoromethyl)benzene
CID 23450922
2-fluoro-4-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134637677
2-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118816068
1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
CID 134627077
4-chloro-2-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 118839102
2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
CID 119002759
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430
[3,5-dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 154931725
1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
CID 155380246
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene (CID 10971996) is 1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene is FC(F)(F)c1c(Cl)cc(Cl)cc1-c1cc(Cl)cc(Cl)c1C(F)(F)F.
What is the InChIKey of 1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
The InChIKey is IFGAMKAYPPLRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4Cl4F6/c15-5-1-7(11(9(17)3-5)13(19,20)21)8-2-6(16)4-10(18)12(8)14(22,23)24/h1-4H.
What are the key properties of 1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 427.99 g/mol, XLogP of 8.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 10971996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).