ethane;2,2,2-tribromo-1-phenylethanone

C10H11Br3O — CID 159508588

IUPACethane;2,2,2-tribromo-1-phenylethanone
SMILESCC.O=C(c1ccccc1)C(Br)(Br)Br
InChIInChI=1S/C8H5Br3O.C2H6/c9-8(10,11)7(12)6-4-2-1-3-5-6;1-2/h1-5H;1-2H3
InChIKeyMAHTYOXWVYLSTQ-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.73
Rot. Bonds1

About ethane;2,2,2-tribromo-1-phenylethanone

ethane;2,2,2-tribromo-1-phenylethanone (PubChem CID 159508588) has the molecular formula C10H11Br3O and a molecular weight of 386.91 g/mol. Its IUPAC name is ethane;2,2,2-tribromo-1-phenylethanone.

Molecular Properties

Compound Nameethane;2,2,2-tribromo-1-phenylethanone
PubChem CID159508588
Molecular FormulaC10H11Br3O
Molecular Weight386.91 g/mol
Exact Mass383.84
IUPAC Nameethane;2,2,2-tribromo-1-phenylethanone
SMILESCC.O=C(c1ccccc1)C(Br)(Br)Br
InChIInChI=1S/C8H5Br3O.C2H6/c9-8(10,11)7(12)6-4-2-1-3-5-6;1-2/h1-5H;1-2H3
InChIKeyMAHTYOXWVYLSTQ-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.73
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-phenylethanone;2,2,2-tribromo-1-phenylethanone
CID 23466177
2-bromo-1-phenyl-2-sulfanylpropan-1-one
CID 23463078
benzoic acid;ethane;ethene
CID 143334069
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
(2S)-3-bromo-2-methyl-1,2-diphenylpropan-1-one
CID 139043134
diphenylmethanone;ethane
CID 158014879
benzoic acid;methanol
CID 67901482
CID 57211596
CID 57211596
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
2,2-dibromo-1-phenylpentan-1-one
CID 15696195
2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
CID 12576841
(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
CID 97115094

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-tribromo-1-phenylethanone?
The IUPAC name of ethane;2,2,2-tribromo-1-phenylethanone (CID 159508588) is ethane;2,2,2-tribromo-1-phenylethanone.
What is the SMILES notation for ethane;2,2,2-tribromo-1-phenylethanone?
The canonical SMILES for ethane;2,2,2-tribromo-1-phenylethanone is CC.O=C(c1ccccc1)C(Br)(Br)Br.
What is the InChIKey of ethane;2,2,2-tribromo-1-phenylethanone?
The InChIKey is MAHTYOXWVYLSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3O.C2H6/c9-8(10,11)7(12)6-4-2-1-3-5-6;1-2/h1-5H;1-2H3.
What are the key properties of ethane;2,2,2-tribromo-1-phenylethanone?
ethane;2,2,2-tribromo-1-phenylethanone has a molecular weight of 386.91 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-tribromo-1-phenylethanone is sourced from PubChem (CID 159508588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).