2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol

C16H14F3NO — CID 3416301

IUPAC2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol
SMILESOCC(/N=C(\c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)15(13-9-5-2-6-10-13)20-14(11-21)12-7-3-1-4-8-12/h1-10,14,21H,11H2/b20-15+
InChIKeyNNULSLZUCWLDJK-HMMYKYKNSA-N
MW293.29 g/mol
LogP3.77
Rot. Bonds4

About 2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol

2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol (PubChem CID 3416301) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol
PubChem CID3416301
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol
SMILESOCC(/N=C(\c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)15(13-9-5-2-6-10-13)20-14(11-21)12-7-3-1-4-8-12/h1-10,14,21H,11H2/b20-15+
InChIKeyNNULSLZUCWLDJK-HMMYKYKNSA-N
XLogP3.77
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol?
The IUPAC name of 2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol (CID 3416301) is 2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol.
What is the SMILES notation for 2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol?
The canonical SMILES for 2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol is OCC(/N=C(\c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol?
The InChIKey is NNULSLZUCWLDJK-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)15(13-9-5-2-6-10-13)20-14(11-21)12-7-3-1-4-8-12/h1-10,14,21H,11H2/b20-15+.
What are the key properties of 2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol?
2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol has a molecular weight of 293.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol is sourced from PubChem (CID 3416301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).