1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine

C16H14F3N — CID 122210374

IUPAC1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine
SMILESCc1ccccc1C(=NC(F)(F)F)c1ccccc1C
InChIInChI=1S/C16H14F3N/c1-11-7-3-5-9-13(11)15(20-16(17,18)19)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKeyODHAXZAZPVSMPX-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.66
Rot. Bonds2

About 1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine

1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine (PubChem CID 122210374) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is 1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine.

Molecular Properties

Compound Name1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine
PubChem CID122210374
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine
SMILESCc1ccccc1C(=NC(F)(F)F)c1ccccc1C
InChIInChI=1S/C16H14F3N/c1-11-7-3-5-9-13(11)15(20-16(17,18)19)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKeyODHAXZAZPVSMPX-UHFFFAOYSA-N
XLogP4.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine?
The IUPAC name of 1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine (CID 122210374) is 1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine.
What is the SMILES notation for 1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine?
The canonical SMILES for 1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine is Cc1ccccc1C(=NC(F)(F)F)c1ccccc1C.
What is the InChIKey of 1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine?
The InChIKey is ODHAXZAZPVSMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c1-11-7-3-5-9-13(11)15(20-16(17,18)19)14-10-6-4-8-12(14)2/h3-10H,1-2H3.
What are the key properties of 1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine?
1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine has a molecular weight of 277.29 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine is sourced from PubChem (CID 122210374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).