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

C8H3BrF6 — CID 171007965

IUPAC1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(C(F)F)cc(Br)c1C(F)(F)F
InChIInChI=1S/C8H3BrF6/c9-4-1-3(7(11)12)2-5(10)6(4)8(13,14)15/h1-2,7H
InChIKeySLIVBNHCMHNLAD-UHFFFAOYSA-N
MW293.00 g/mol
LogP4.54
Rot. Bonds1

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

1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene (PubChem CID 171007965) has the molecular formula C8H3BrF6 and a molecular weight of 293.00 g/mol. Its IUPAC name is 1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene
PubChem CID171007965
Molecular FormulaC8H3BrF6
Molecular Weight293.00 g/mol
Exact Mass291.93
IUPAC Name1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(C(F)F)cc(Br)c1C(F)(F)F
InChIInChI=1S/C8H3BrF6/c9-4-1-3(7(11)12)2-5(10)6(4)8(13,14)15/h1-2,7H
InChIKeySLIVBNHCMHNLAD-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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene (CID 171007965) is 1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene is Fc1cc(C(F)F)cc(Br)c1C(F)(F)F.
What is the InChIKey of 1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is SLIVBNHCMHNLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF6/c9-4-1-3(7(11)12)2-5(10)6(4)8(13,14)15/h1-2,7H.
What are the key properties of 1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene?
1-bromo-5-(difluoromethyl)-3-fluoro-2-(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 1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 171007965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).