[(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate

C10H8Cl4O2 — CID 53231004

IUPAC[(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate
SMILESO=C(CCl)O[C@H](CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl4O2/c11-4-9(16-10(15)5-12)7-2-1-6(13)3-8(7)14/h1-3,9H,4-5H2/t9-/m1/s1
InChIKeyZJTMNCUCKUVEQC-SECBINFHSA-N
MW301.98 g/mol
LogP4.06
Rot. Bonds4

About [(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate

[(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate (PubChem CID 53231004) has the molecular formula C10H8Cl4O2 and a molecular weight of 301.98 g/mol. Its IUPAC name is [(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate.

Molecular Properties

Compound Name[(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate
PubChem CID53231004
Molecular FormulaC10H8Cl4O2
Molecular Weight301.98 g/mol
Exact Mass299.93
IUPAC Name[(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate
SMILESO=C(CCl)O[C@H](CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl4O2/c11-4-9(16-10(15)5-12)7-2-1-6(13)3-8(7)14/h1-3,9H,4-5H2/t9-/m1/s1
InChIKeyZJTMNCUCKUVEQC-SECBINFHSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.98
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate
CID 134934512
[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate
CID 144705770
[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
CID 11962489
(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 102173737
ethyl 4-chloro-4-(2,4-dichlorophenyl)butanoate
CID 82366891
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzoate;hydrochloride
CID 155545468
1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 83226646
2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanol
CID 70556653
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
ethyl 3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 43242641
[(3S)-1-(2,4-dichlorophenyl)-4-(methoxymethoxy)-3-methylbutyl] carbamate
CID 175407200
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3,4-dichlorobenzoate
CID 21422347

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate?
The IUPAC name of [(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate (CID 53231004) is [(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate.
What is the SMILES notation for [(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate?
The canonical SMILES for [(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate is O=C(CCl)O[C@H](CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate?
The InChIKey is ZJTMNCUCKUVEQC-SECBINFHSA-N. The full InChI is InChI=1S/C10H8Cl4O2/c11-4-9(16-10(15)5-12)7-2-1-6(13)3-8(7)14/h1-3,9H,4-5H2/t9-/m1/s1.
What are the key properties of [(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate?
[(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate has a molecular weight of 301.98 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate is sourced from PubChem (CID 53231004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).