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

C10H8Br2F2O — CID 131555608

IUPAC1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(Br)c1ccc(C(F)F)c(Br)c1
InChIInChI=1S/C10H8Br2F2O/c1-5(15)9(12)6-2-3-7(10(13)14)8(11)4-6/h2-4,9-10H,1H3
InChIKeyFAKSMPDNBMSDLR-UHFFFAOYSA-N
MW341.98 g/mol
LogP4.41
Rot. Bonds3

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

1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one (PubChem CID 131555608) has the molecular formula C10H8Br2F2O and a molecular weight of 341.98 g/mol. Its IUPAC name is 1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one
PubChem CID131555608
Molecular FormulaC10H8Br2F2O
Molecular Weight341.98 g/mol
Exact Mass339.89
IUPAC Name1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(Br)c1ccc(C(F)F)c(Br)c1
InChIInChI=1S/C10H8Br2F2O/c1-5(15)9(12)6-2-3-7(10(13)14)8(11)4-6/h2-4,9-10H,1H3
InChIKeyFAKSMPDNBMSDLR-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.98
LogP ≤ 54.41
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-bromo-1-[3-(difluoromethyl)-4-iodophenyl]propan-2-one
CID 131491284
1-bromo-1-[4-(chloromethyl)-3-(difluoromethyl)phenyl]propan-2-one
CID 131584654
1-bromo-1-[4-(difluoromethyl)-2-methylphenyl]propan-2-one
CID 131294022
1-bromo-1-(4-bromo-3-sulfanylphenyl)propan-2-one
CID 130784428
1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
CID 131394364
1-bromo-1-[4-bromo-3-(chloromethyl)phenyl]propan-2-one
CID 131118771
1-bromo-1-(3-fluoro-4-methylsulfanylphenyl)propan-2-one
CID 130864227
2-[4-(1-bromo-2-oxopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 118835510
1-bromo-1-[2-(bromomethyl)-5-(difluoromethyl)phenyl]propan-2-one
CID 131507338
1-bromo-1-[2-(difluoromethyl)-5-methylsulfanylphenyl]propan-2-one
CID 131411578
1-bromo-1-[2-(difluoromethyl)-5-ethylphenyl]propan-2-one
CID 131366426
3-bromo-4-(difluoromethyl)phenol
CID 84688064

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one (CID 131555608) is 1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one is CC(=O)C(Br)c1ccc(C(F)F)c(Br)c1.
What is the InChIKey of 1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one?
The InChIKey is FAKSMPDNBMSDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F2O/c1-5(15)9(12)6-2-3-7(10(13)14)8(11)4-6/h2-4,9-10H,1H3.
What are the key properties of 1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one?
1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one has a molecular weight of 341.98 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 131555608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).