methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate

C8H8F8N2O4 — CID 21326214

IUPACmethyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate
SMILES[H]/N=C(\OC)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)/C(=N/[H])OC
InChIInChI=1S/C8H8F8N2O4/c1-19-3(17)5(9,10)21-7(13,14)8(15,16)22-6(11,12)4(18)20-2/h17-18H,1-2H3/b17-3-,18-4-
InChIKeyBRGHFGBINNNNAS-XBMAZEBWSA-N
MW348.15 g/mol
LogP2.64
Rot. Bonds7

About methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate

methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate (PubChem CID 21326214) has the molecular formula C8H8F8N2O4 and a molecular weight of 348.15 g/mol. Its IUPAC name is methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate.

Molecular Properties

Compound Namemethyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate
PubChem CID21326214
Molecular FormulaC8H8F8N2O4
Molecular Weight348.15 g/mol
Exact Mass348.04
IUPAC Namemethyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate
SMILES[H]/N=C(\OC)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)/C(=N/[H])OC
InChIInChI=1S/C8H8F8N2O4/c1-19-3(17)5(9,10)21-7(13,14)8(15,16)22-6(11,12)4(18)20-2/h17-18H,1-2H3/b17-3-,18-4-
InChIKeyBRGHFGBINNNNAS-XBMAZEBWSA-N
XLogP2.64
TPSA84.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate?
The IUPAC name of methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate (CID 21326214) is methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate.
What is the SMILES notation for methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate?
The canonical SMILES for methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate is [H]/N=C(\OC)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)/C(=N/[H])OC.
What is the InChIKey of methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate?
The InChIKey is BRGHFGBINNNNAS-XBMAZEBWSA-N. The full InChI is InChI=1S/C8H8F8N2O4/c1-19-3(17)5(9,10)21-7(13,14)8(15,16)22-6(11,12)4(18)20-2/h17-18H,1-2H3/b17-3-,18-4-.
What are the key properties of methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate?
methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate has a molecular weight of 348.15 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1,1-difluoro-2-imino-2-methoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanimidate is sourced from PubChem (CID 21326214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).