2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene

C8H3BrF6 — CID 171033276

IUPAC2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cc(C(F)F)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H3BrF6/c9-6-4(7(11)12)1-3(10)2-5(6)8(13,14)15/h1-2,7H
InChIKeyAQOPYMXSYHUMKZ-UHFFFAOYSA-N
MW293.00 g/mol
LogP4.54
Rot. Bonds1

About 2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene

2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene (PubChem CID 171033276) has the molecular formula C8H3BrF6 and a molecular weight of 293.00 g/mol. Its IUPAC name is 2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene
PubChem CID171033276
Molecular FormulaC8H3BrF6
Molecular Weight293.00 g/mol
Exact Mass291.93
IUPAC Name2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cc(C(F)F)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H3BrF6/c9-6-4(7(11)12)1-3(10)2-5(6)8(13,14)15/h1-2,7H
InChIKeyAQOPYMXSYHUMKZ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.00
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
2-bromo-3-(difluoromethyl)-5-fluorophenol
CID 119006418
4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118810424
1-bromo-3-(difluoromethyl)-5-fluoro-2-methylbenzene
CID 131267533
[2-bromo-5-fluoro-3-(trifluoromethyl)phenyl]-methoxyazanium
CID 143371207
2,6-dibromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118999254
1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene
CID 171009081
2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline
CID 143371208
1-bromo-5-fluoro-2-iodo-3-(trifluoromethyl)benzene
CID 46735226
1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene
CID 155463935
1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
CID 119018682
2-bromo-6-chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119019524

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene (CID 171033276) is 2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene is Fc1cc(C(F)F)c(Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is AQOPYMXSYHUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF6/c9-6-4(7(11)12)1-3(10)2-5(6)8(13,14)15/h1-2,7H.
What are the key properties of 2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene?
2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 293.00 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 171033276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).