N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine

C11H13ClFN — CID 89443984

IUPACN-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine
SMILESCC(C)(C)/N=C/c1cc(Cl)ccc1F
InChIInChI=1S/C11H13ClFN/c1-11(2,3)14-7-8-6-9(12)4-5-10(8)13/h4-7H,1-3H3/b14-7+
InChIKeyYQTLREPPGWAWJW-VGOFMYFVSA-N
MW213.68 g/mol
LogP3.70
Rot. Bonds1

About N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine

N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine (PubChem CID 89443984) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine
PubChem CID89443984
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC NameN-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine
SMILESCC(C)(C)/N=C/c1cc(Cl)ccc1F
InChIInChI=1S/C11H13ClFN/c1-11(2,3)14-7-8-6-9(12)4-5-10(8)13/h4-7H,1-3H3/b14-7+
InChIKeyYQTLREPPGWAWJW-VGOFMYFVSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine (CID 89443984) is N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine is CC(C)(C)/N=C/c1cc(Cl)ccc1F.
What is the InChIKey of N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine?
The InChIKey is YQTLREPPGWAWJW-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-11(2,3)14-7-8-6-9(12)4-5-10(8)13/h4-7H,1-3H3/b14-7+.
What are the key properties of N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine?
N-tert-butyl-1-(5-chloro-2-fluorophenyl)methanimine has a molecular weight of 213.68 g/mol, XLogP of 3.70, 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-(5-chloro-2-fluorophenyl)methanimine is sourced from PubChem (CID 89443984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).