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

C21H16F3N — CID 15255743

IUPACN-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16F3N/c22-21(23,24)19-13-11-16(12-14-19)15-25-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,20H/b25-15+
InChIKeyRDHRRPRGGFCEEX-MFKUBSTISA-N
MW339.36 g/mol
LogP5.91
Rot. Bonds4

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

N-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 15255743) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is N-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID15255743
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC NameN-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16F3N/c22-21(23,24)19-13-11-16(12-14-19)15-25-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,20H/b25-15+
InChIKeyRDHRRPRGGFCEEX-MFKUBSTISA-N
XLogP5.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 55.91
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-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine (CID 15255743) is N-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is RDHRRPRGGFCEEX-MFKUBSTISA-N. The full InChI is InChI=1S/C21H16F3N/c22-21(23,24)19-13-11-16(12-14-19)15-25-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,20H/b25-15+.
What are the key properties of N-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine?
N-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 339.36 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 15255743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).