methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate

C5H9Cl2O5P — CID 12576714

IUPACmethyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate
SMILESCOC(=O)C(Cl)(OC)P(=O)(Cl)OC
InChIInChI=1S/C5H9Cl2O5P/c1-10-4(8)5(6,11-2)13(7,9)12-3/h1-3H3
InChIKeyFEEXFDASUGHYJU-UHFFFAOYSA-N
MW251.00 g/mol
LogP1.78
Rot. Bonds4

About methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate

methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate (PubChem CID 12576714) has the molecular formula C5H9Cl2O5P and a molecular weight of 251.00 g/mol. Its IUPAC name is methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate
PubChem CID12576714
Molecular FormulaC5H9Cl2O5P
Molecular Weight251.00 g/mol
Exact Mass249.96
IUPAC Namemethyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate
SMILESCOC(=O)C(Cl)(OC)P(=O)(Cl)OC
InChIInChI=1S/C5H9Cl2O5P/c1-10-4(8)5(6,11-2)13(7,9)12-3/h1-3H3
InChIKeyFEEXFDASUGHYJU-UHFFFAOYSA-N
XLogP1.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.00
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-2-chloropropanoate
CID 11052670
(2-chloro-1-methoxy-1-oxopropan-2-yl)phosphonic acid
CID 154585130
methyl 2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 13024469
dimethyl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 151999350
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate
CID 23401527
[chloro(methyl)phosphoryl]oxymethane
CID 11499216
methyl 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
CID 2782477
methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate
CID 12587002
methyl 2-fluoro-2-(trifluoromethyl)but-3-enoate
CID 18924168
methyl N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]carbamate
CID 7024921
methyl 2,4,4-trichloro-2-methylbutanoate
CID 10584979

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate?
The IUPAC name of methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate (CID 12576714) is methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate.
What is the SMILES notation for methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate?
The canonical SMILES for methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate is COC(=O)C(Cl)(OC)P(=O)(Cl)OC.
What is the InChIKey of methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate?
The InChIKey is FEEXFDASUGHYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2O5P/c1-10-4(8)5(6,11-2)13(7,9)12-3/h1-3H3.
What are the key properties of methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate?
methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate has a molecular weight of 251.00 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-[chloro(methoxy)phosphoryl]-2-methoxyacetate is sourced from PubChem (CID 12576714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).