2,2-dibromo-2-phenylacetyl chloride

C8H5Br2ClO — CID 56990356

IUPAC2,2-dibromo-2-phenylacetyl chloride
SMILESO=C(Cl)C(Br)(Br)c1ccccc1
InChIInChI=1S/C8H5Br2ClO/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H
InChIKeyBCARCOUSRRMMIK-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.39
Rot. Bonds2

About 2,2-dibromo-2-phenylacetyl chloride

2,2-dibromo-2-phenylacetyl chloride (PubChem CID 56990356) has the molecular formula C8H5Br2ClO and a molecular weight of 312.39 g/mol. Its IUPAC name is 2,2-dibromo-2-phenylacetyl chloride.

Molecular Properties

Compound Name2,2-dibromo-2-phenylacetyl chloride
PubChem CID56990356
Molecular FormulaC8H5Br2ClO
Molecular Weight312.39 g/mol
Exact Mass309.84
IUPAC Name2,2-dibromo-2-phenylacetyl chloride
SMILESO=C(Cl)C(Br)(Br)c1ccccc1
InChIInChI=1S/C8H5Br2ClO/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H
InChIKeyBCARCOUSRRMMIK-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-dibromo-2-phenylacetate
CID 59974916
2-(1,1-diphenylethyl)propanedioyl dichloride
CID 139978063
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride
CID 142176021
2-chloro-3-hydroxy-3,3-diphenylpropanoic acid
CID 87898633
S-(2-phenylpropan-2-yl) chloromethanethioate
CID 13089654
2-chloro-2-phenylbutanoyl chloride
CID 174602040
4,4,4-triphenylbutanoyl chloride
CID 15254182
2-chloro-1,2,2-triphenylethanone
CID 11301235
2-[dihydroxy(phenyl)methyl]propanedioic acid
CID 67817052
anthracene-9,10-dione;carbonochloridic acid
CID 88712965
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-2-phenylacetyl chloride?
The IUPAC name of 2,2-dibromo-2-phenylacetyl chloride (CID 56990356) is 2,2-dibromo-2-phenylacetyl chloride.
What is the SMILES notation for 2,2-dibromo-2-phenylacetyl chloride?
The canonical SMILES for 2,2-dibromo-2-phenylacetyl chloride is O=C(Cl)C(Br)(Br)c1ccccc1.
What is the InChIKey of 2,2-dibromo-2-phenylacetyl chloride?
The InChIKey is BCARCOUSRRMMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2ClO/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2,2-dibromo-2-phenylacetyl chloride?
2,2-dibromo-2-phenylacetyl chloride has a molecular weight of 312.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-2-phenylacetyl chloride is sourced from PubChem (CID 56990356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).