2,2,2-trifluoro-N-octyl-1-phenylethanimine

C16H22F3N — CID 102263374

IUPAC2,2,2-trifluoro-N-octyl-1-phenylethanimine
SMILESCCCCCCCC/N=C(\c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-2-3-4-5-6-10-13-20-15(16(17,18)19)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3/b20-15+
InChIKeyMHGANPMVBUXPLV-HMMYKYKNSA-N
MW285.35 g/mol
LogP5.40
Rot. Bonds8

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

2,2,2-trifluoro-N-octyl-1-phenylethanimine (PubChem CID 102263374) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-octyl-1-phenylethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-octyl-1-phenylethanimine
PubChem CID102263374
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2,2,2-trifluoro-N-octyl-1-phenylethanimine
SMILESCCCCCCCC/N=C(\c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-2-3-4-5-6-10-13-20-15(16(17,18)19)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3/b20-15+
InChIKeyMHGANPMVBUXPLV-HMMYKYKNSA-N
XLogP5.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-octyl-1-phenylethanimine?
The IUPAC name of 2,2,2-trifluoro-N-octyl-1-phenylethanimine (CID 102263374) is 2,2,2-trifluoro-N-octyl-1-phenylethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-octyl-1-phenylethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-octyl-1-phenylethanimine is CCCCCCCC/N=C(\c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-octyl-1-phenylethanimine?
The InChIKey is MHGANPMVBUXPLV-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-3-4-5-6-10-13-20-15(16(17,18)19)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3/b20-15+.
What are the key properties of 2,2,2-trifluoro-N-octyl-1-phenylethanimine?
2,2,2-trifluoro-N-octyl-1-phenylethanimine has a molecular weight of 285.35 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-octyl-1-phenylethanimine is sourced from PubChem (CID 102263374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).