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

C12H15F2NO — CID 88954266

IUPAC(E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine
SMILESCO/N=C/c1c(F)cc(C(C)(C)C)cc1F
InChIInChI=1S/C12H15F2NO/c1-12(2,3)8-5-10(13)9(7-15-16-4)11(14)6-8/h5-7H,1-4H3/b15-7+
InChIKeyKVSNETDWODUISG-VIZOYTHASA-N
MW227.25 g/mol
LogP3.24
Rot. Bonds2

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

(E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine (PubChem CID 88954266) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine
PubChem CID88954266
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine
SMILESCO/N=C/c1c(F)cc(C(C)(C)C)cc1F
InChIInChI=1S/C12H15F2NO/c1-12(2,3)8-5-10(13)9(7-15-16-4)11(14)6-8/h5-7H,1-4H3/b15-7+
InChIKeyKVSNETDWODUISG-VIZOYTHASA-N
XLogP3.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 53.24
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-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine (CID 88954266) is (E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine is CO/N=C/c1c(F)cc(C(C)(C)C)cc1F.
What is the InChIKey of (E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine?
The InChIKey is KVSNETDWODUISG-VIZOYTHASA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(2,3)8-5-10(13)9(7-15-16-4)11(14)6-8/h5-7H,1-4H3/b15-7+.
What are the key properties of (E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine?
(E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine has a molecular weight of 227.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine is sourced from PubChem (CID 88954266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).