ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate

C11H20F3O5P — CID 10860175

IUPACethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate
SMILESCCOC(=O)C(C(F)(F)F)=P(OCC)(OCC)OCC
InChIInChI=1S/C11H20F3O5P/c1-5-16-10(15)9(11(12,13)14)20(17-6-2,18-7-3)19-8-4/h5-8H2,1-4H3
InChIKeyIPGGDVFRPKHDRM-UHFFFAOYSA-N
MW320.24 g/mol
LogP3.16
Rot. Bonds8

About ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate

ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate (PubChem CID 10860175) has the molecular formula C11H20F3O5P and a molecular weight of 320.24 g/mol. Its IUPAC name is ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate.

Molecular Properties

Compound Nameethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate
PubChem CID10860175
Molecular FormulaC11H20F3O5P
Molecular Weight320.24 g/mol
Exact Mass320.10
IUPAC Nameethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate
SMILESCCOC(=O)C(C(F)(F)F)=P(OCC)(OCC)OCC
InChIInChI=1S/C11H20F3O5P/c1-5-16-10(15)9(11(12,13)14)20(17-6-2,18-7-3)19-8-4/h5-8H2,1-4H3
InChIKeyIPGGDVFRPKHDRM-UHFFFAOYSA-N
XLogP3.16
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate?
The IUPAC name of ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate (CID 10860175) is ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate.
What is the SMILES notation for ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate?
The canonical SMILES for ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate is CCOC(=O)C(C(F)(F)F)=P(OCC)(OCC)OCC.
What is the InChIKey of ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate?
The InChIKey is IPGGDVFRPKHDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3O5P/c1-5-16-10(15)9(11(12,13)14)20(17-6-2,18-7-3)19-8-4/h5-8H2,1-4H3.
What are the key properties of ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate?
ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate has a molecular weight of 320.24 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3,3-trifluoro-2-(triethoxy-λ5-phosphanylidene)propanoate is sourced from PubChem (CID 10860175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).