methyl 2-diethoxyphosphoryl-2-fluoroacetate

C7H14FO5P — CID 10944193

IUPACmethyl 2-diethoxyphosphoryl-2-fluoroacetate
SMILESCCOP(=O)(OCC)C(F)C(=O)OC
InChIInChI=1S/C7H14FO5P/c1-4-12-14(10,13-5-2)6(8)7(9)11-3/h6H,4-5H2,1-3H3
InChIKeyMEVFDLFNGRSBCV-UHFFFAOYSA-N
MW228.16 g/mol
LogP1.72
Rot. Bonds6

About methyl 2-diethoxyphosphoryl-2-fluoroacetate

methyl 2-diethoxyphosphoryl-2-fluoroacetate (PubChem CID 10944193) has the molecular formula C7H14FO5P and a molecular weight of 228.16 g/mol. Its IUPAC name is methyl 2-diethoxyphosphoryl-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-diethoxyphosphoryl-2-fluoroacetate
PubChem CID10944193
Molecular FormulaC7H14FO5P
Molecular Weight228.16 g/mol
Exact Mass228.06
IUPAC Namemethyl 2-diethoxyphosphoryl-2-fluoroacetate
SMILESCCOP(=O)(OCC)C(F)C(=O)OC
InChIInChI=1S/C7H14FO5P/c1-4-12-14(10,13-5-2)6(8)7(9)11-3/h6H,4-5H2,1-3H3
InChIKeyMEVFDLFNGRSBCV-UHFFFAOYSA-N
XLogP1.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Triethyl phosphonoacetate
CID 13345
Trimethyl phosphonoacetate
CID 80029
Nsc 634137
CID 184894
Dimethyl (2-acetoxyethyl)phosphonate
CID 198200
Methyl diethylphosphonoacetate
CID 66113
Phosphonic acid, (3-(acetyloxy)propyl)-, dimethyl ester
CID 217647
Ethyl (dimethoxyphosphinoyl)acetate
CID 67555
Triethyl 2-fluoro-2-phosphonoacetate
CID 2734865
Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate
CID 11759356
2-(Diethyl phosphono)-2-fluoroacetic acid
CID 11031196
Triethyl phosphonoacetate-13C2
CID 10911236
Ethyl (diethoxyphosphoryl)(2-~13~C)acetate
CID 16211869

Frequently Asked Questions

What is the IUPAC name of methyl 2-diethoxyphosphoryl-2-fluoroacetate?
The IUPAC name of methyl 2-diethoxyphosphoryl-2-fluoroacetate (CID 10944193) is methyl 2-diethoxyphosphoryl-2-fluoroacetate.
What is the SMILES notation for methyl 2-diethoxyphosphoryl-2-fluoroacetate?
The canonical SMILES for methyl 2-diethoxyphosphoryl-2-fluoroacetate is CCOP(=O)(OCC)C(F)C(=O)OC.
What is the InChIKey of methyl 2-diethoxyphosphoryl-2-fluoroacetate?
The InChIKey is MEVFDLFNGRSBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FO5P/c1-4-12-14(10,13-5-2)6(8)7(9)11-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-diethoxyphosphoryl-2-fluoroacetate?
methyl 2-diethoxyphosphoryl-2-fluoroacetate has a molecular weight of 228.16 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diethoxyphosphoryl-2-fluoroacetate is sourced from PubChem (CID 10944193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).