1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone

C9H7BrF2O2 — CID 171027893

IUPAC1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Br)c1OC(F)F
InChIInChI=1S/C9H7BrF2O2/c1-5(13)6-3-2-4-7(10)8(6)14-9(11)12/h2-4,9H,1H3
InChIKeyHTGDHFKAYYYFSH-UHFFFAOYSA-N
MW265.05 g/mol
LogP3.25
Rot. Bonds3

About 1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone

1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone (PubChem CID 171027893) has the molecular formula C9H7BrF2O2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
PubChem CID171027893
Molecular FormulaC9H7BrF2O2
Molecular Weight265.05 g/mol
Exact Mass263.96
IUPAC Name1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Br)c1OC(F)F
InChIInChI=1S/C9H7BrF2O2/c1-5(13)6-3-2-4-7(10)8(6)14-9(11)12/h2-4,9H,1H3
InChIKeyHTGDHFKAYYYFSH-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-2-(difluoromethoxy)phenyl]-2-chloropropan-1-one
CID 134625182
1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone
CID 131291755
3-acetyl-6-bromo-2-(difluoromethoxy)benzonitrile
CID 171000692
[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825202
1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone
CID 131616132
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1-[6-amino-3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171026919
2-bromo-1-[2-(difluoromethoxy)-3-(difluoromethyl)phenyl]propan-1-one
CID 134618580
2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one
CID 134619168
1-[2-(difluoromethoxy)-3-iodo-4-methylphenyl]ethanone
CID 131629632
1-[3-bromo-5-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 131599898
1-[3-(difluoromethoxy)-4-fluoro-2-methylphenyl]ethanone
CID 131615132

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone (CID 171027893) is 1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone is CC(=O)c1cccc(Br)c1OC(F)F.
What is the InChIKey of 1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone?
The InChIKey is HTGDHFKAYYYFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O2/c1-5(13)6-3-2-4-7(10)8(6)14-9(11)12/h2-4,9H,1H3.
What are the key properties of 1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone?
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone has a molecular weight of 265.05 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 171027893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).