(E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine

C10H11F2NO — CID 88956524

IUPAC(E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine
SMILESCCc1cc(F)c(/C=N/OC)c(F)c1
InChIInChI=1S/C10H11F2NO/c1-3-7-4-9(11)8(6-13-14-2)10(12)5-7/h4-6H,3H2,1-2H3/b13-6+
InChIKeyCMNIOENKSHJSRR-AWNIVKPZSA-N
MW199.20 g/mol
LogP2.51
Rot. Bonds3

About (E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine

(E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine (PubChem CID 88956524) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is (E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine
PubChem CID88956524
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name(E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine
SMILESCCc1cc(F)c(/C=N/OC)c(F)c1
InChIInChI=1S/C10H11F2NO/c1-3-7-4-9(11)8(6-13-14-2)10(12)5-7/h4-6H,3H2,1-2H3/b13-6+
InChIKeyCMNIOENKSHJSRR-AWNIVKPZSA-N
XLogP2.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine (CID 88956524) is (E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine is CCc1cc(F)c(/C=N/OC)c(F)c1.
What is the InChIKey of (E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine?
The InChIKey is CMNIOENKSHJSRR-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-3-7-4-9(11)8(6-13-14-2)10(12)5-7/h4-6H,3H2,1-2H3/b13-6+.
What are the key properties of (E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine?
(E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine has a molecular weight of 199.20 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine is sourced from PubChem (CID 88956524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).