1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene

C23H9Br3F12 — CID 143307773

IUPAC1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene
SMILESCc1cc(C(F)(F)F)c(C(F)(F)F)cc1-c1cc(Br)c(-c2cc(C(F)(F)F)c(C(F)(F)F)cc2Br)cc1Br
InChIInChI=1S/C23H9Br3F12/c1-8-2-13(20(27,28)29)14(21(30,31)32)3-9(8)11-5-18(25)12(6-17(11)24)10-4-15(22(33,34)35)16(7-19(10)26)23(36,37)38/h2-7H,1H3
InChIKeyRQYSNHPZBFTULK-UHFFFAOYSA-N
MW753.01 g/mol
LogP11.69
Rot. Bonds2

About 1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene

1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene (PubChem CID 143307773) has the molecular formula C23H9Br3F12 and a molecular weight of 753.01 g/mol. Its IUPAC name is 1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene
PubChem CID143307773
Molecular FormulaC23H9Br3F12
Molecular Weight753.01 g/mol
Exact Mass749.81
IUPAC Name1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene
SMILESCc1cc(C(F)(F)F)c(C(F)(F)F)cc1-c1cc(Br)c(-c2cc(C(F)(F)F)c(C(F)(F)F)cc2Br)cc1Br
InChIInChI=1S/C23H9Br3F12/c1-8-2-13(20(27,28)29)14(21(30,31)32)3-9(8)11-5-18(25)12(6-17(11)24)10-4-15(22(33,34)35)16(7-19(10)26)23(36,37)38/h2-7H,1H3
InChIKeyRQYSNHPZBFTULK-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.01
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-5-(bromomethyl)-2-methyl-4-(trifluoromethyl)benzene
CID 171009269
1-bromo-4-tert-butyl-2-methyl-3-(trifluoromethyl)benzene;1-bromo-4-tert-butyl-2-methyl-5-(trifluoromethyl)benzene
CID 170309179
1-(bromomethyl)-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135743210
1-bromo-2-(2-bromo-4,5-dimethylphenyl)-4,5-dimethylbenzene
CID 15855234
5-bromo-4-methyl-2-(trifluoromethyl)benzaldehyde
CID 90394938
1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
CID 131371239
3-bromo-1,4-dimethyl-2,5-bis(trifluoromethyl)benzene
CID 50742071
2-bromo-4-methyl-5-(trifluoromethyl)aniline
CID 53416665
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
5-bromo-2-methyl-4-(trifluoromethyl)benzoyl chloride
CID 171009025
3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 169248960
1-bromo-4,5-bis(trifluoromethyl)-2-(trifluoromethylsulfanyl)benzene
CID 118818409

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene (CID 143307773) is 1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene is Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1-c1cc(Br)c(-c2cc(C(F)(F)F)c(C(F)(F)F)cc2Br)cc1Br.
What is the InChIKey of 1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene?
The InChIKey is RQYSNHPZBFTULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H9Br3F12/c1-8-2-13(20(27,28)29)14(21(30,31)32)3-9(8)11-5-18(25)12(6-17(11)24)10-4-15(22(33,34)35)16(7-19(10)26)23(36,37)38/h2-7H,1H3.
What are the key properties of 1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene?
1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene has a molecular weight of 753.01 g/mol, XLogP of 11.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[2-bromo-4,5-bis(trifluoromethyl)phenyl]-5-[2-methyl-4,5-bis(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 143307773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).