N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine

C12H14F3N — CID 11608305

IUPACN-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCC(C)(C)/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-11(2,3)16-8-9-4-6-10(7-5-9)12(13,14)15/h4-8H,1-3H3/b16-8+
InChIKeyQXJSKXGIXWWSMI-LZYBPNLTSA-N
MW229.25 g/mol
LogP3.92
Rot. Bonds1

About N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine

N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 11608305) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID11608305
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC NameN-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCC(C)(C)/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-11(2,3)16-8-9-4-6-10(7-5-9)12(13,14)15/h4-8H,1-3H3/b16-8+
InChIKeyQXJSKXGIXWWSMI-LZYBPNLTSA-N
XLogP3.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-Butyl-alpha-phenylnitrone
CID 638877
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
N-methyl-alpha-phenylnitrone
CID 819870
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
N-tert-butyl-1-(4-methylphenyl)methanimine oxide
CID 11458189
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide
CID 10313352
N-Benzylidenepropylamine
CID 250250
N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine Oxide
CID 11817416
1-(4-fluorophenyl)-N-methylmethanimine oxide
CID 5392831
Phenethylamine, N-(2,2,3,3,4,4,4-heptafluorobutylidene)-
CID 563360

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine (CID 11608305) is N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine is CC(C)(C)/N=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is QXJSKXGIXWWSMI-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H14F3N/c1-11(2,3)16-8-9-4-6-10(7-5-9)12(13,14)15/h4-8H,1-3H3/b16-8+.
What are the key properties of N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine?
N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 229.25 g/mol, XLogP of 3.92, 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-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 11608305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).