N-benzyl-2,2,2-trifluoro-1-phenylethanimine

C15H12F3N — CID 10912345

IUPACN-benzyl-2,2,2-trifluoro-1-phenylethanimine
SMILESFC(F)(F)/C(=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12F3N/c16-15(17,18)14(13-9-5-2-6-10-13)19-11-12-7-3-1-4-8-12/h1-10H,11H2/b19-14+
InChIKeyBLOMGUKPUAIVAE-XMHGGMMESA-N
MW263.26 g/mol
LogP4.24
Rot. Bonds3

About N-benzyl-2,2,2-trifluoro-1-phenylethanimine

N-benzyl-2,2,2-trifluoro-1-phenylethanimine (PubChem CID 10912345) has the molecular formula C15H12F3N and a molecular weight of 263.26 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-1-phenylethanimine.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-1-phenylethanimine
PubChem CID10912345
Molecular FormulaC15H12F3N
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC NameN-benzyl-2,2,2-trifluoro-1-phenylethanimine
SMILESFC(F)(F)/C(=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12F3N/c16-15(17,18)14(13-9-5-2-6-10-13)19-11-12-7-3-1-4-8-12/h1-10H,11H2/b19-14+
InChIKeyBLOMGUKPUAIVAE-XMHGGMMESA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 54.24
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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-1-phenylethanimine?
The IUPAC name of N-benzyl-2,2,2-trifluoro-1-phenylethanimine (CID 10912345) is N-benzyl-2,2,2-trifluoro-1-phenylethanimine.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-1-phenylethanimine?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-1-phenylethanimine is FC(F)(F)/C(=N/Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-1-phenylethanimine?
The InChIKey is BLOMGUKPUAIVAE-XMHGGMMESA-N. The full InChI is InChI=1S/C15H12F3N/c16-15(17,18)14(13-9-5-2-6-10-13)19-11-12-7-3-1-4-8-12/h1-10H,11H2/b19-14+.
What are the key properties of N-benzyl-2,2,2-trifluoro-1-phenylethanimine?
N-benzyl-2,2,2-trifluoro-1-phenylethanimine has a molecular weight of 263.26 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-1-phenylethanimine is sourced from PubChem (CID 10912345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).