ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate

C11H13F2NO — CID 19904232

IUPACethyl 2-(2,6-difluorophenyl)-N-methylethanimidate
SMILESCCO/C(Cc1c(F)cccc1F)=N\C
InChIInChI=1S/C11H13F2NO/c1-3-15-11(14-2)7-8-9(12)5-4-6-10(8)13/h4-6H,3,7H2,1-2H3/b14-11-
InChIKeyCGFMTNZPTUECRH-KAMYIIQDSA-N
MW213.23 g/mol
LogP2.57
Rot. Bonds3

About ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate

ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate (PubChem CID 19904232) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate.

Molecular Properties

Compound Nameethyl 2-(2,6-difluorophenyl)-N-methylethanimidate
PubChem CID19904232
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 2-(2,6-difluorophenyl)-N-methylethanimidate
SMILESCCO/C(Cc1c(F)cccc1F)=N\C
InChIInChI=1S/C11H13F2NO/c1-3-15-11(14-2)7-8-9(12)5-4-6-10(8)13/h4-6H,3,7H2,1-2H3/b14-11-
InChIKeyCGFMTNZPTUECRH-KAMYIIQDSA-N
XLogP2.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
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)-N-methylethanimidate?
The IUPAC name of ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate (CID 19904232) is ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate.
What is the SMILES notation for ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate?
The canonical SMILES for ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate is CCO/C(Cc1c(F)cccc1F)=N\C.
What is the InChIKey of ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate?
The InChIKey is CGFMTNZPTUECRH-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-3-15-11(14-2)7-8-9(12)5-4-6-10(8)13/h4-6H,3,7H2,1-2H3/b14-11-.
What are the key properties of ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate?
ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate has a molecular weight of 213.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-difluorophenyl)-N-methylethanimidate is sourced from PubChem (CID 19904232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).