2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate

C11H14F5NO6 — CID 89368142

IUPAC2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(F)(F)OC(F)(F)COF
InChIInChI=1S/C11H14F5NO6/c1-7(2)8(18)20-4-3-17-9(19)21-5-10(12,13)23-11(14,15)6-22-16/h1,3-6H2,2H3,(H,17,19)
InChIKeyYEFPGXHYKMOGFB-UHFFFAOYSA-N
MW351.22 g/mol
LogP1.94
Rot. Bonds10

About 2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate

2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 89368142) has the molecular formula C11H14F5NO6 and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID89368142
Molecular FormulaC11H14F5NO6
Molecular Weight351.22 g/mol
Exact Mass351.07
IUPAC Name2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(F)(F)OC(F)(F)COF
InChIInChI=1S/C11H14F5NO6/c1-7(2)8(18)20-4-3-17-9(19)21-5-10(12,13)23-11(14,15)6-22-16/h1,3-6H2,2H3,(H,17,19)
InChIKeyYEFPGXHYKMOGFB-UHFFFAOYSA-N
XLogP1.94
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

2-[(2-ethyl-2-methyl-3-oxobutoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 58965886
2-[(3,3,4,4-tetrafluoro-4-sulfanylbutoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 89309082
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 91694697
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl 2-tert-butyl-3,3-dimethylbutanoate
CID 123465925
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58975887
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate
CID 23324464

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate (CID 89368142) is 2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCC(F)(F)OC(F)(F)COF.
What is the InChIKey of 2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is YEFPGXHYKMOGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F5NO6/c1-7(2)8(18)20-4-3-17-9(19)21-5-10(12,13)23-11(14,15)6-22-16/h1,3-6H2,2H3,(H,17,19).
What are the key properties of 2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 351.22 g/mol, XLogP of 1.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89368142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).