1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine

C16H11F6N — CID 71722599

IUPAC1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H11F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-9H,10H2/b23-9+
InChIKeyZQHUZWLWETYCDW-NUGSKGIGSA-N
MW331.26 g/mol
LogP5.34
Rot. Bonds3

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

1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine (PubChem CID 71722599) has the molecular formula C16H11F6N and a molecular weight of 331.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine
PubChem CID71722599
Molecular FormulaC16H11F6N
Molecular Weight331.26 g/mol
Exact Mass331.08
IUPAC Name1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H11F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-9H,10H2/b23-9+
InChIKeyZQHUZWLWETYCDW-NUGSKGIGSA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.26
LogP ≤ 55.34
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 1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine (CID 71722599) is 1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine is FC(F)(F)c1ccc(/C=N/Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine?
The InChIKey is ZQHUZWLWETYCDW-NUGSKGIGSA-N. The full InChI is InChI=1S/C16H11F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-9H,10H2/b23-9+.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine?
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine has a molecular weight of 331.26 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine is sourced from PubChem (CID 71722599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).