1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one

C10H8Br2F2O2 — CID 134616182

IUPAC1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one
SMILESO=C(CBr)Cc1ccc(OC(F)F)cc1Br
InChIInChI=1S/C10H8Br2F2O2/c11-5-7(15)3-6-1-2-8(4-9(6)12)16-10(13)14/h1-2,4,10H,3,5H2
InChIKeyISMXGBCTRZGNJU-UHFFFAOYSA-N
MW357.98 g/mol
LogP3.56
Rot. Bonds5

About 1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one

1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one (PubChem CID 134616182) has the molecular formula C10H8Br2F2O2 and a molecular weight of 357.98 g/mol. Its IUPAC name is 1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one
PubChem CID134616182
Molecular FormulaC10H8Br2F2O2
Molecular Weight357.98 g/mol
Exact Mass355.89
IUPAC Name1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one
SMILESO=C(CBr)Cc1ccc(OC(F)F)cc1Br
InChIInChI=1S/C10H8Br2F2O2/c11-5-7(15)3-6-1-2-8(4-9(6)12)16-10(13)14/h1-2,4,10H,3,5H2
InChIKeyISMXGBCTRZGNJU-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.98
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[2-(difluoromethoxy)-5-methoxyphenyl]propan-2-one
CID 134616094
2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene
CID 134625353
1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one
CID 131190700
1-bromo-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-2-one
CID 134616187
1-bromo-3-[4-(chloromethyl)-3-(difluoromethoxy)phenyl]propan-2-one
CID 134624879
1-bromo-3-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616428
1-bromo-3-[3-(difluoromethoxy)-2-methylphenyl]propan-2-one
CID 134616416
1-bromo-3-[2-chloro-4-(trifluoromethoxy)phenyl]propan-2-one
CID 134616227
1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
CID 134616422
1-(2-amino-4-methoxyphenyl)-3-bromopropan-2-one
CID 118826696
1-bromo-3-[2-(chloromethyl)-4-(trifluoromethoxy)phenyl]propan-2-one
CID 134616058
3-bromo-1-[2-(chloromethyl)-5-(difluoromethoxy)phenyl]propan-1-one
CID 134624329

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one?
The IUPAC name of 1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one (CID 134616182) is 1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one?
The canonical SMILES for 1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one is O=C(CBr)Cc1ccc(OC(F)F)cc1Br.
What is the InChIKey of 1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one?
The InChIKey is ISMXGBCTRZGNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F2O2/c11-5-7(15)3-6-1-2-8(4-9(6)12)16-10(13)14/h1-2,4,10H,3,5H2.
What are the key properties of 1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one?
1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one has a molecular weight of 357.98 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one is sourced from PubChem (CID 134616182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).