1,2-dibromo-3-(difluoromethyl)benzene

C7H4Br2F2 — CID 46311693

IUPAC1,2-dibromo-3-(difluoromethyl)benzene
SMILESFC(F)c1cccc(Br)c1Br
InChIInChI=1S/C7H4Br2F2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H
InChIKeyWVTDKMLXPWYZLJ-UHFFFAOYSA-N
MW285.91 g/mol
LogP4.15
Rot. Bonds1

About 1,2-dibromo-3-(difluoromethyl)benzene

1,2-dibromo-3-(difluoromethyl)benzene (PubChem CID 46311693) has the molecular formula C7H4Br2F2 and a molecular weight of 285.91 g/mol. Its IUPAC name is 1,2-dibromo-3-(difluoromethyl)benzene.

Molecular Properties

Compound Name1,2-dibromo-3-(difluoromethyl)benzene
PubChem CID46311693
Molecular FormulaC7H4Br2F2
Molecular Weight285.91 g/mol
Exact Mass283.86
IUPAC Name1,2-dibromo-3-(difluoromethyl)benzene
SMILESFC(F)c1cccc(Br)c1Br
InChIInChI=1S/C7H4Br2F2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H
InChIKeyWVTDKMLXPWYZLJ-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.91
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene
CID 141467496
1-(2,3-dibromophenyl)-2-methylpropan-1-amine
CID 130000512
1-[2-bromo-3-(difluoromethyl)phenyl]ethanamine
CID 175189095
1-(2,3-dibromophenyl)ethane-1,2-diamine
CID 130043520
(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
CID 54407818
2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene
CID 119018255
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
2-[(1S)-1-amino-2,2-difluoroethyl]-6-bromophenol
CID 131151173
2-chloro-1-(difluoromethyl)-3-iodobenzene
CID 118995834
1-bromo-2-(difluoromethyl)-3-methylbenzene
CID 84686328
1-bromo-2-[fluoro(phenyl)methyl]benzene
CID 71380558

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-(difluoromethyl)benzene?
The IUPAC name of 1,2-dibromo-3-(difluoromethyl)benzene (CID 46311693) is 1,2-dibromo-3-(difluoromethyl)benzene.
What is the SMILES notation for 1,2-dibromo-3-(difluoromethyl)benzene?
The canonical SMILES for 1,2-dibromo-3-(difluoromethyl)benzene is FC(F)c1cccc(Br)c1Br.
What is the InChIKey of 1,2-dibromo-3-(difluoromethyl)benzene?
The InChIKey is WVTDKMLXPWYZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H.
What are the key properties of 1,2-dibromo-3-(difluoromethyl)benzene?
1,2-dibromo-3-(difluoromethyl)benzene has a molecular weight of 285.91 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-(difluoromethyl)benzene is sourced from PubChem (CID 46311693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).