(E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine

C15H20FNO — CID 126653154

IUPAC(E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine
SMILESCCO/N=C1\CCc2cc(C(C)(C)C)cc(F)c21
InChIInChI=1S/C15H20FNO/c1-5-18-17-13-7-6-10-8-11(15(2,3)4)9-12(16)14(10)13/h8-9H,5-7H2,1-4H3/b17-13+
InChIKeyJMYYPIRMHLOUGP-GHRIWEEISA-N
MW249.33 g/mol
LogP3.81
Rot. Bonds2

About (E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine

(E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine (PubChem CID 126653154) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name(E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine
PubChem CID126653154
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine
SMILESCCO/N=C1\CCc2cc(C(C)(C)C)cc(F)c21
InChIInChI=1S/C15H20FNO/c1-5-18-17-13-7-6-10-8-11(15(2,3)4)9-12(16)14(10)13/h8-9H,5-7H2,1-4H3/b17-13+
InChIKeyJMYYPIRMHLOUGP-GHRIWEEISA-N
XLogP3.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.81
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)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine?
The IUPAC name of (E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine (CID 126653154) is (E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine.
What is the SMILES notation for (E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine?
The canonical SMILES for (E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine is CCO/N=C1\CCc2cc(C(C)(C)C)cc(F)c21.
What is the InChIKey of (E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine?
The InChIKey is JMYYPIRMHLOUGP-GHRIWEEISA-N. The full InChI is InChI=1S/C15H20FNO/c1-5-18-17-13-7-6-10-8-11(15(2,3)4)9-12(16)14(10)13/h8-9H,5-7H2,1-4H3/b17-13+.
What are the key properties of (E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine?
(E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine has a molecular weight of 249.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine is sourced from PubChem (CID 126653154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).