1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene

C9HBr2F9 — CID 162536983

IUPAC1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Br)cc(Br)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9HBr2F9/c10-2-1-3(11)5(8(15,16)17)6(9(18,19)20)4(2)7(12,13)14/h1H
InChIKeyGQYAZWVJJHHNPV-UHFFFAOYSA-N
MW439.90 g/mol
LogP6.27
Rot. Bonds

About 1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene

1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene (PubChem CID 162536983) has the molecular formula C9HBr2F9 and a molecular weight of 439.90 g/mol. Its IUPAC name is 1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene
PubChem CID162536983
Molecular FormulaC9HBr2F9
Molecular Weight439.90 g/mol
Exact Mass437.83
IUPAC Name1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Br)cc(Br)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9HBr2F9/c10-2-1-3(11)5(8(15,16)17)6(9(18,19)20)4(2)7(12,13)14/h1H
InChIKeyGQYAZWVJJHHNPV-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.90
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-bromo-2,5-bis(trifluoromethyl)benzenethiol
CID 118990966
1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene
CID 135743181
1,3-dibromo-2-(trifluoromethyl)benzene
CID 56604724
3-bromo-5-methyl-4-(trifluoromethyl)phenol
CID 131628338
1-bromo-4,5-difluoro-3-methyl-2-(trifluoromethyl)benzene
CID 170917204
1-bromo-2,3,5-trifluoro-4-(trifluoromethyl)benzene
CID 169336513
1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene
CID 171007965
1-bromo-3-fluoro-5-methoxy-2-(trifluoromethyl)benzene
CID 171000164
1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 164895727
1-bromo-2,3,4-tris(trifluoromethyl)benzene
CID 18349903
3-amino-5-bromo-4-(trifluoromethyl)benzonitrile
CID 130849030
2-[3-bromo-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119014997

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene?
The IUPAC name of 1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene (CID 162536983) is 1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene.
What is the SMILES notation for 1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene?
The canonical SMILES for 1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene is FC(F)(F)c1c(Br)cc(Br)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene?
The InChIKey is GQYAZWVJJHHNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HBr2F9/c10-2-1-3(11)5(8(15,16)17)6(9(18,19)20)4(2)7(12,13)14/h1H.
What are the key properties of 1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene?
1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene has a molecular weight of 439.90 g/mol, XLogP of 6.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene is sourced from PubChem (CID 162536983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).