1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone

C10H9BrF2O2 — CID 131290897

IUPAC1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone
SMILESCC(=O)c1cc(OC(F)F)c(C)cc1Br
InChIInChI=1S/C10H9BrF2O2/c1-5-3-8(11)7(6(2)14)4-9(5)15-10(12)13/h3-4,10H,1-2H3
InChIKeyAERFROIUZRBDBM-UHFFFAOYSA-N
MW279.08 g/mol
LogP3.56
Rot. Bonds3

About 1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone

1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone (PubChem CID 131290897) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is 1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone
PubChem CID131290897
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Name1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone
SMILESCC(=O)c1cc(OC(F)F)c(C)cc1Br
InChIInChI=1S/C10H9BrF2O2/c1-5-3-8(11)7(6(2)14)4-9(5)15-10(12)13/h3-4,10H,1-2H3
InChIKeyAERFROIUZRBDBM-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131587225
1-[5-bromo-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131597786
1-(2-bromo-4-methoxy-5-methylphenyl)ethanone
CID 134818651
1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
1-[2-bromo-5-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171000680
ethyl 2-bromo-4-(bromomethyl)-5-(difluoromethoxy)benzoate
CID 171004576
1-[5-amino-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131281119
2-(difluoromethoxy)-4,5-dimethylbenzoic acid
CID 131524654
1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone
CID 131291755
ethyl 2-amino-5-(difluoromethoxy)-4-methylbenzoate
CID 171011069
4-acetyl-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171032064

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone?
The IUPAC name of 1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone (CID 131290897) is 1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone?
The canonical SMILES for 1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone is CC(=O)c1cc(OC(F)F)c(C)cc1Br.
What is the InChIKey of 1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone?
The InChIKey is AERFROIUZRBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c1-5-3-8(11)7(6(2)14)4-9(5)15-10(12)13/h3-4,10H,1-2H3.
What are the key properties of 1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone?
1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone has a molecular weight of 279.08 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone is sourced from PubChem (CID 131290897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).