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

C10H8Br2F2O — CID 134623103

IUPAC3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one
SMILESO=C(CCBr)c1ccc(Br)cc1C(F)F
InChIInChI=1S/C10H8Br2F2O/c11-4-3-9(15)7-2-1-6(12)5-8(7)10(13)14/h1-2,5,10H,3-4H2
InChIKeySUWXZRGLVUKACZ-UHFFFAOYSA-N
MW341.98 g/mol
LogP4.35
Rot. Bonds4

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

3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one (PubChem CID 134623103) has the molecular formula C10H8Br2F2O and a molecular weight of 341.98 g/mol. Its IUPAC name is 3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one
PubChem CID134623103
Molecular FormulaC10H8Br2F2O
Molecular Weight341.98 g/mol
Exact Mass339.89
IUPAC Name3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one
SMILESO=C(CCBr)c1ccc(Br)cc1C(F)F
InChIInChI=1S/C10H8Br2F2O/c11-4-3-9(15)7-2-1-6(12)5-8(7)10(13)14/h1-2,5,10H,3-4H2
InChIKeySUWXZRGLVUKACZ-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.98
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[5-bromo-2-(difluoromethyl)phenyl]-3-chloropropan-1-one
CID 134629389
ethyl 4-(3-bromopropanoyl)-3-(difluoromethyl)benzoate
CID 134643943
ethyl 5-bromo-2-(3-bromopropanoyl)benzoate
CID 134633526
(E)-3-[5-bromo-2-(3-bromopropanoyl)phenyl]prop-2-enoic acid
CID 134629328
3-bromo-1-[2-(bromomethyl)-3-(difluoromethyl)phenyl]propan-1-one
CID 131417026
3-bromo-1-[3-(difluoromethyl)-4-fluorophenyl]propan-1-one
CID 134625282
[4-bromo-2-(difluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 125474315
3-bromo-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-one
CID 134625407
2-bromo-1-[2-(difluoromethyl)phenyl]ethanone
CID 177183939
3-bromo-1-[3-(bromomethyl)-4-(difluoromethyl)phenyl]propan-1-one
CID 131405733
1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one
CID 118807500
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one (CID 134623103) is 3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one is O=C(CCBr)c1ccc(Br)cc1C(F)F.
What is the InChIKey of 3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one?
The InChIKey is SUWXZRGLVUKACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F2O/c11-4-3-9(15)7-2-1-6(12)5-8(7)10(13)14/h1-2,5,10H,3-4H2.
What are the key properties of 3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one?
3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one has a molecular weight of 341.98 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 134623103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).