1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone

C9H7BrF2O2 — CID 131572162

IUPAC1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1c(Br)cc(O)cc1C(F)F
InChIInChI=1S/C9H7BrF2O2/c1-4(13)8-6(9(11)12)2-5(14)3-7(8)10/h2-3,9,14H,1H3
InChIKeyGAIONRWCGWMLMK-UHFFFAOYSA-N
MW265.05 g/mol
LogP3.29
Rot. Bonds2

About 1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone

1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone (PubChem CID 131572162) has the molecular formula C9H7BrF2O2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone
PubChem CID131572162
Molecular FormulaC9H7BrF2O2
Molecular Weight265.05 g/mol
Exact Mass263.96
IUPAC Name1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1c(Br)cc(O)cc1C(F)F
InChIInChI=1S/C9H7BrF2O2/c1-4(13)8-6(9(11)12)2-5(14)3-7(8)10/h2-3,9,14H,1H3
InChIKeyGAIONRWCGWMLMK-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-6-(difluoromethyl)-4-fluorophenyl]ethanone
CID 131295838
1-[2-(difluoromethyl)-4-hydroxy-6-methylphenyl]ethanone
CID 131329925
1-[2-(difluoromethyl)-4-hydroxy-6-(trifluoromethyl)phenyl]ethanone
CID 171032599
1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone
CID 131623551
1-[3-bromo-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 131572163
1-[5-bromo-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573374
2-acetyl-5-bromo-3-(difluoromethyl)benzonitrile
CID 171000752
2-acetyl-5-bromo-3-(difluoromethyl)benzaldehyde
CID 171001458
1-[3-bromo-6-(difluoromethyl)-2-fluorophenyl]ethanone
CID 131278161
1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007175
3-bromo-4-(difluoromethyl)phenol
CID 84688064
1-[2-(difluoromethyl)-6-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171032659

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone?
The IUPAC name of 1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone (CID 131572162) is 1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone is CC(=O)c1c(Br)cc(O)cc1C(F)F.
What is the InChIKey of 1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone?
The InChIKey is GAIONRWCGWMLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O2/c1-4(13)8-6(9(11)12)2-5(14)3-7(8)10/h2-3,9,14H,1H3.
What are the key properties of 1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone?
1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone has a molecular weight of 265.05 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone is sourced from PubChem (CID 131572162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).