[(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate

C10H7Cl3O3 — CID 14579293

IUPAC[(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate
SMILESO=C(O[C@@H](C(=O)Cl)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C10H7Cl3O3/c11-8(12)10(15)16-7(9(13)14)6-4-2-1-3-5-6/h1-5,7-8H/t7-/m1/s1
InChIKeyLQVKWYWARUZZSU-SSDOTTSWSA-N
MW281.52 g/mol
LogP2.84
Rot. Bonds4

About [(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate

[(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate (PubChem CID 14579293) has the molecular formula C10H7Cl3O3 and a molecular weight of 281.52 g/mol. Its IUPAC name is [(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate.

Molecular Properties

Compound Name[(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate
PubChem CID14579293
Molecular FormulaC10H7Cl3O3
Molecular Weight281.52 g/mol
Exact Mass279.95
IUPAC Name[(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate
SMILESO=C(O[C@@H](C(=O)Cl)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C10H7Cl3O3/c11-8(12)10(15)16-7(9(13)14)6-4-2-1-3-5-6/h1-5,7-8H/t7-/m1/s1
InChIKeyLQVKWYWARUZZSU-SSDOTTSWSA-N
XLogP2.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

benzhydryl 2,2-dichloroacetate
CID 102144827
(2-chloro-2-oxo-1-phenylethyl) benzoate
CID 10659973
[(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dimethylpropanoate
CID 86649875
(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
CID 54256901
2-phenyl-2-(2,2,2-trichloroethoxycarbonyloxy)acetic acid
CID 21454891
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
ethyl 2-[(2,2-dichloroacetyl)amino]-3-(2,2-dichloroacetyl)oxy-3-phenylpropanoate
CID 3111052
2-amino-2-phenylacetyl chloride;hydron;chloride
CID 51056098
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
methyl 3-chloro-3-oxo-2-phenylpropanoate
CID 12726479
benzhydryl (2R)-2-chloropropanoate
CID 14524946
[chloro(phenyl)methyl] 2-hydroxypropanoate
CID 69060482

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate?
The IUPAC name of [(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate (CID 14579293) is [(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate.
What is the SMILES notation for [(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate?
The canonical SMILES for [(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate is O=C(O[C@@H](C(=O)Cl)c1ccccc1)C(Cl)Cl.
What is the InChIKey of [(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate?
The InChIKey is LQVKWYWARUZZSU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H7Cl3O3/c11-8(12)10(15)16-7(9(13)14)6-4-2-1-3-5-6/h1-5,7-8H/t7-/m1/s1.
What are the key properties of [(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate?
[(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate has a molecular weight of 281.52 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate is sourced from PubChem (CID 14579293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).