[2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane

C9H17F2O4P — CID 158014067

IUPAC[2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane
SMILESC.C=CC(=O)OCC(F)(F)P(C)(=O)OCC
InChIInChI=1S/C8H13F2O4P.CH4/c1-4-7(11)13-6-8(9,10)15(3,12)14-5-2;/h4H,1,5-6H2,2-3H3;1H4
InChIKeyFFGADLYEBUYFSQ-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.89
Rot. Bonds6

About [2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane

[2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane (PubChem CID 158014067) has the molecular formula C9H17F2O4P and a molecular weight of 258.20 g/mol. Its IUPAC name is [2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane.

Molecular Properties

Compound Name[2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane
PubChem CID158014067
Molecular FormulaC9H17F2O4P
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name[2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane
SMILESC.C=CC(=O)OCC(F)(F)P(C)(=O)OCC
InChIInChI=1S/C8H13F2O4P.CH4/c1-4-7(11)13-6-8(9,10)15(3,12)14-5-2;/h4H,1,5-6H2,2-3H3;1H4
InChIKeyFFGADLYEBUYFSQ-UHFFFAOYSA-N
XLogP2.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate
CID 164896517
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
[2-[[hydroxy-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]phosphoryl]oxymethyl]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 171853521
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate
CID 118919135
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane;ethyl prop-2-enoate;hydrate
CID 175188589

Frequently Asked Questions

What is the IUPAC name of [2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane?
The IUPAC name of [2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane (CID 158014067) is [2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane.
What is the SMILES notation for [2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane?
The canonical SMILES for [2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane is C.C=CC(=O)OCC(F)(F)P(C)(=O)OCC.
What is the InChIKey of [2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane?
The InChIKey is FFGADLYEBUYFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2O4P.CH4/c1-4-7(11)13-6-8(9,10)15(3,12)14-5-2;/h4H,1,5-6H2,2-3H3;1H4.
What are the key properties of [2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane?
[2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane has a molecular weight of 258.20 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethoxy(methyl)phosphoryl]-2,2-difluoroethyl] prop-2-enoate;methane is sourced from PubChem (CID 158014067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).