ethyl 2-(2,6-difluorophenyl)ethanimidate

C10H11F2NO — CID 10330377

IUPACethyl 2-(2,6-difluorophenyl)ethanimidate
SMILES[H]/N=C(/Cc1c(F)cccc1F)OCC
InChIInChI=1S/C10H11F2NO/c1-2-14-10(13)6-7-8(11)4-3-5-9(7)12/h3-5,13H,2,6H2,1H3/b13-10-
InChIKeyNJBIUPMLTSEWBP-RAXLEYEMSA-N
MW199.20 g/mol
LogP2.52
Rot. Bonds3

About ethyl 2-(2,6-difluorophenyl)ethanimidate

ethyl 2-(2,6-difluorophenyl)ethanimidate (PubChem CID 10330377) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is ethyl 2-(2,6-difluorophenyl)ethanimidate.

Molecular Properties

Compound Nameethyl 2-(2,6-difluorophenyl)ethanimidate
PubChem CID10330377
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Nameethyl 2-(2,6-difluorophenyl)ethanimidate
SMILES[H]/N=C(/Cc1c(F)cccc1F)OCC
InChIInChI=1S/C10H11F2NO/c1-2-14-10(13)6-7-8(11)4-3-5-9(7)12/h3-5,13H,2,6H2,1H3/b13-10-
InChIKeyNJBIUPMLTSEWBP-RAXLEYEMSA-N
XLogP2.52
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-difluorophenyl)ethanimidate?
The IUPAC name of ethyl 2-(2,6-difluorophenyl)ethanimidate (CID 10330377) is ethyl 2-(2,6-difluorophenyl)ethanimidate.
What is the SMILES notation for ethyl 2-(2,6-difluorophenyl)ethanimidate?
The canonical SMILES for ethyl 2-(2,6-difluorophenyl)ethanimidate is [H]/N=C(/Cc1c(F)cccc1F)OCC.
What is the InChIKey of ethyl 2-(2,6-difluorophenyl)ethanimidate?
The InChIKey is NJBIUPMLTSEWBP-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-2-14-10(13)6-7-8(11)4-3-5-9(7)12/h3-5,13H,2,6H2,1H3/b13-10-.
What are the key properties of ethyl 2-(2,6-difluorophenyl)ethanimidate?
ethyl 2-(2,6-difluorophenyl)ethanimidate has a molecular weight of 199.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-difluorophenyl)ethanimidate is sourced from PubChem (CID 10330377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).