methyl 2-dimethylphosphoryl-2-fluoroacetate

C5H10FO3P — CID 90854286

IUPACmethyl 2-dimethylphosphoryl-2-fluoroacetate
SMILESCOC(=O)C(F)P(C)(C)=O
InChIInChI=1S/C5H10FO3P/c1-9-5(7)4(6)10(2,3)8/h4H,1-3H3
InChIKeyGWLNDJLHBHUSKF-UHFFFAOYSA-N
MW168.10 g/mol
LogP1.08
Rot. Bonds2

About methyl 2-dimethylphosphoryl-2-fluoroacetate

methyl 2-dimethylphosphoryl-2-fluoroacetate (PubChem CID 90854286) has the molecular formula C5H10FO3P and a molecular weight of 168.10 g/mol. Its IUPAC name is methyl 2-dimethylphosphoryl-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-dimethylphosphoryl-2-fluoroacetate
PubChem CID90854286
Molecular FormulaC5H10FO3P
Molecular Weight168.10 g/mol
Exact Mass168.04
IUPAC Namemethyl 2-dimethylphosphoryl-2-fluoroacetate
SMILESCOC(=O)C(F)P(C)(C)=O
InChIInChI=1S/C5H10FO3P/c1-9-5(7)4(6)10(2,3)8/h4H,1-3H3
InChIKeyGWLNDJLHBHUSKF-UHFFFAOYSA-N
XLogP1.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.10
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid
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methyl 3,3,3-trifluoro-2-phosphonooxypropanoate
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(3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid
CID 44606057
[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
CID 174391031
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
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methyl (2S)-2-(fluoroamino)propanoate
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1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid
CID 19880149
dimethyl 2-fluoro-3-methylidenebutanedioate
CID 90023364
methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170
methyl 2-fluoro-2-fluorosulfonylacetate
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methyl (2S)-2-dimethoxyphosphorylpropanoate
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methyl 2-dimethoxyphosphorylpropanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-dimethylphosphoryl-2-fluoroacetate?
The IUPAC name of methyl 2-dimethylphosphoryl-2-fluoroacetate (CID 90854286) is methyl 2-dimethylphosphoryl-2-fluoroacetate.
What is the SMILES notation for methyl 2-dimethylphosphoryl-2-fluoroacetate?
The canonical SMILES for methyl 2-dimethylphosphoryl-2-fluoroacetate is COC(=O)C(F)P(C)(C)=O.
What is the InChIKey of methyl 2-dimethylphosphoryl-2-fluoroacetate?
The InChIKey is GWLNDJLHBHUSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FO3P/c1-9-5(7)4(6)10(2,3)8/h4H,1-3H3.
What are the key properties of methyl 2-dimethylphosphoryl-2-fluoroacetate?
methyl 2-dimethylphosphoryl-2-fluoroacetate has a molecular weight of 168.10 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-dimethylphosphoryl-2-fluoroacetate is sourced from PubChem (CID 90854286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).