N-tert-butyl-1-(2-fluorophenyl)methanimine oxide

C11H14FNO — CID 20640185

IUPACN-tert-butyl-1-(2-fluorophenyl)methanimine oxide
SMILESCC(C)(C)/[N+]([O-])=C/c1ccccc1F
InChIInChI=1S/C11H14FNO/c1-11(2,3)13(14)8-9-6-4-5-7-10(9)12/h4-8H,1-3H3/b13-8-
InChIKeyVDXPZZPESMKOGH-JYRVWZFOSA-N
MW195.24 g/mol
LogP2.55
Rot. Bonds1

About N-tert-butyl-1-(2-fluorophenyl)methanimine oxide

N-tert-butyl-1-(2-fluorophenyl)methanimine oxide (PubChem CID 20640185) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is N-tert-butyl-1-(2-fluorophenyl)methanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1-(2-fluorophenyl)methanimine oxide
PubChem CID20640185
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-tert-butyl-1-(2-fluorophenyl)methanimine oxide
SMILESCC(C)(C)/[N+]([O-])=C/c1ccccc1F
InChIInChI=1S/C11H14FNO/c1-11(2,3)13(14)8-9-6-4-5-7-10(9)12/h4-8H,1-3H3/b13-8-
InChIKeyVDXPZZPESMKOGH-JYRVWZFOSA-N
XLogP2.55
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-fluorophenyl)methanimine oxide?
The IUPAC name of N-tert-butyl-1-(2-fluorophenyl)methanimine oxide (CID 20640185) is N-tert-butyl-1-(2-fluorophenyl)methanimine oxide.
What is the SMILES notation for N-tert-butyl-1-(2-fluorophenyl)methanimine oxide?
The canonical SMILES for N-tert-butyl-1-(2-fluorophenyl)methanimine oxide is CC(C)(C)/[N+]([O-])=C/c1ccccc1F.
What is the InChIKey of N-tert-butyl-1-(2-fluorophenyl)methanimine oxide?
The InChIKey is VDXPZZPESMKOGH-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(2,3)13(14)8-9-6-4-5-7-10(9)12/h4-8H,1-3H3/b13-8-.
What are the key properties of N-tert-butyl-1-(2-fluorophenyl)methanimine oxide?
N-tert-butyl-1-(2-fluorophenyl)methanimine oxide has a molecular weight of 195.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-fluorophenyl)methanimine oxide is sourced from PubChem (CID 20640185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).