1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one

C10H8Br2F2O2 — CID 118809490

IUPAC1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1cc(OC(F)F)cc(Br)c1Br
InChIInChI=1S/C10H8Br2F2O2/c1-2-8(15)6-3-5(16-10(13)14)4-7(11)9(6)12/h3-4,10H,2H2,1H3
InChIKeyYSMBFXCIIJIDFZ-UHFFFAOYSA-N
MW357.98 g/mol
LogP4.41
Rot. Bonds4

About 1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one

1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one (PubChem CID 118809490) has the molecular formula C10H8Br2F2O2 and a molecular weight of 357.98 g/mol. Its IUPAC name is 1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one
PubChem CID118809490
Molecular FormulaC10H8Br2F2O2
Molecular Weight357.98 g/mol
Exact Mass355.89
IUPAC Name1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1cc(OC(F)F)cc(Br)c1Br
InChIInChI=1S/C10H8Br2F2O2/c1-2-8(15)6-3-5(16-10(13)14)4-7(11)9(6)12/h3-4,10H,2H2,1H3
InChIKeyYSMBFXCIIJIDFZ-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.98
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134628763
1-[3-bromo-5-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 131599898
1-[3-bromo-5-(difluoromethoxy)-2-nitrophenyl]ethanone
CID 171032969
1,2-dibromo-5-(difluoromethoxy)-3-(fluoromethoxy)benzene
CID 118841497
1-[2-bromo-5-(difluoromethoxy)-3-nitrophenyl]ethanone
CID 171032963
1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 118808993
1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone
CID 171031722
1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one
CID 118841301
methyl 2-bromo-3-cyano-5-(difluoromethoxy)benzoate
CID 171011344
1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one
CID 82630867
1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one
CID 62381030
1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone
CID 171031662

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one (CID 118809490) is 1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one is CCC(=O)c1cc(OC(F)F)cc(Br)c1Br.
What is the InChIKey of 1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one?
The InChIKey is YSMBFXCIIJIDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F2O2/c1-2-8(15)6-3-5(16-10(13)14)4-7(11)9(6)12/h3-4,10H,2H2,1H3.
What are the key properties of 1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one?
1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one has a molecular weight of 357.98 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dibromo-5-(difluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 118809490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).