2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate

C10H13F4NO5 — CID 87287320

IUPAC2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(F)(F)OC(F)F
InChIInChI=1S/C10H13F4NO5/c1-6(2)7(16)18-4-3-15-9(17)19-5-10(13,14)20-8(11)12/h8H,1,3-5H2,2H3,(H,15,17)
InChIKeyLDAGPNBOZNVIJK-UHFFFAOYSA-N
MW303.21 g/mol
LogP1.66
Rot. Bonds8

About 2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate

2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 87287320) has the molecular formula C10H13F4NO5 and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID87287320
Molecular FormulaC10H13F4NO5
Molecular Weight303.21 g/mol
Exact Mass303.07
IUPAC Name2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(F)(F)OC(F)F
InChIInChI=1S/C10H13F4NO5/c1-6(2)7(16)18-4-3-15-9(17)19-5-10(13,14)20-8(11)12/h8H,1,3-5H2,2H3,(H,15,17)
InChIKeyLDAGPNBOZNVIJK-UHFFFAOYSA-N
XLogP1.66
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate (CID 87287320) is 2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCC(F)(F)OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is LDAGPNBOZNVIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NO5/c1-6(2)7(16)18-4-3-15-9(17)19-5-10(13,14)20-8(11)12/h8H,1,3-5H2,2H3,(H,15,17).
What are the key properties of 2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 303.21 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87287320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).