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

C9H6BrClF2O2 — CID 131587225

IUPAC1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Cl)c(OC(F)F)cc1Br
InChIInChI=1S/C9H6BrClF2O2/c1-4(14)5-2-7(11)8(3-6(5)10)15-9(12)13/h2-3,9H,1H3
InChIKeyRAAIEKBDQNBHBE-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.91
Rot. Bonds3

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

1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone (PubChem CID 131587225) has the molecular formula C9H6BrClF2O2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
PubChem CID131587225
Molecular FormulaC9H6BrClF2O2
Molecular Weight299.50 g/mol
Exact Mass297.92
IUPAC Name1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Cl)c(OC(F)F)cc1Br
InChIInChI=1S/C9H6BrClF2O2/c1-4(14)5-2-7(11)8(3-6(5)10)15-9(12)13/h2-3,9H,1H3
InChIKeyRAAIEKBDQNBHBE-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-amino-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131333493
1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 131290897
1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone
CID 171006158
1-[5-bromo-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131597786
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone
CID 171032832
2,4-dichloro-5-(difluoromethoxy)benzoic acid
CID 119020292
2,5-dibromo-4-(difluoromethoxy)benzoic acid
CID 119002242
1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586
ethyl 2,5-dichloro-4-(difluoromethoxy)benzoate
CID 121228202
1-[2-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227611

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone (CID 131587225) is 1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone is CC(=O)c1cc(Cl)c(OC(F)F)cc1Br.
What is the InChIKey of 1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone?
The InChIKey is RAAIEKBDQNBHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF2O2/c1-4(14)5-2-7(11)8(3-6(5)10)15-9(12)13/h2-3,9H,1H3.
What are the key properties of 1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone?
1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone has a molecular weight of 299.50 g/mol, XLogP of 3.91, 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-chloro-4-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 131587225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).