1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine

C17H16F3N — CID 20728923

IUPAC1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine
SMILESCC/N=C(\c1ccc(Cc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C17H16F3N/c1-2-21-16(17(18,19)20)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3/b21-16+
InChIKeyQKRWVBALHWSCCB-LTGZKZEYSA-N
MW291.32 g/mol
LogP4.65
Rot. Bonds4

About 1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine

1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine (PubChem CID 20728923) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine.

Molecular Properties

Compound Name1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine
PubChem CID20728923
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine
SMILESCC/N=C(\c1ccc(Cc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C17H16F3N/c1-2-21-16(17(18,19)20)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3/b21-16+
InChIKeyQKRWVBALHWSCCB-LTGZKZEYSA-N
XLogP4.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.65
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-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine?
The IUPAC name of 1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine (CID 20728923) is 1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine.
What is the SMILES notation for 1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine?
The canonical SMILES for 1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine is CC/N=C(\c1ccc(Cc2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine?
The InChIKey is QKRWVBALHWSCCB-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-2-21-16(17(18,19)20)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3/b21-16+.
What are the key properties of 1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine?
1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine has a molecular weight of 291.32 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-N-ethyl-2,2,2-trifluoroethanimine is sourced from PubChem (CID 20728923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).