methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate

C9H15F2O5P — CID 10778546

IUPACmethyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H15F2O5P/c1-5-15-17(13,16-6-2)9(10,11)7(3)8(12)14-4/h3,5-6H2,1-2,4H3
InChIKeyOCPPCPTWKYEFRP-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.57
Rot. Bonds7

About methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate

methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate (PubChem CID 10778546) has the molecular formula C9H15F2O5P and a molecular weight of 272.18 g/mol. Its IUPAC name is methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate
PubChem CID10778546
Molecular FormulaC9H15F2O5P
Molecular Weight272.18 g/mol
Exact Mass272.06
IUPAC Namemethyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H15F2O5P/c1-5-15-17(13,16-6-2)9(10,11)7(3)8(12)14-4/h3,5-6H2,1-2,4H3
InChIKeyOCPPCPTWKYEFRP-UHFFFAOYSA-N
XLogP2.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl 3,3-bis(diethoxyphosphoryl)butanoate
CID 10571418
2-bromo-4-diethoxyphosphoryl-4,4-difluorobut-1-ene
CID 14268059
2-diethoxyphosphoryl-4,4,4-trifluoro-2-methyl-3-oxobutanenitrile
CID 100960610
2-bromo-2-diethoxyphosphoryl-2-fluoroacetonitrile
CID 134872139
methyl 3-hydroxy-2-methylidene-3-propylhexanoate
CID 14006518
3-diethoxyphosphoryl-3-methylbutan-2-one
CID 14267358
1-bromo-2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 11130909
ethyl 2-[1,1-bis(diethoxyphosphoryl)ethoxymethyl]prop-2-enoate
CID 102220205
ethyl 2-diethoxyphosphoryl-2-fluoro-3-oxopentanoate
CID 101023867
(4R)-4-amino-4-diethoxyphosphoryl-5,5,5-trifluoropentan-2-one
CID 132510059
(4S)-4-amino-4-diethoxyphosphoryl-5,5,5-trifluoropentan-2-one
CID 132510058
methyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate;methyl 2-(trifluoromethyl)prop-2-enoate
CID 90771270

Frequently Asked Questions

What is the IUPAC name of methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate (CID 10778546) is methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate is C=C(C(=O)OC)C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate?
The InChIKey is OCPPCPTWKYEFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2O5P/c1-5-15-17(13,16-6-2)9(10,11)7(3)8(12)14-4/h3,5-6H2,1-2,4H3.
What are the key properties of methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate?
methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate has a molecular weight of 272.18 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate is sourced from PubChem (CID 10778546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).