1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine

C15H14F3NO — CID 58736678

IUPAC1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine
SMILESC/C(=N\[C@@H](c1ccc(C)o1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H14F3NO/c1-10-8-9-13(20-10)14(15(16,17)18)19-11(2)12-6-4-3-5-7-12/h3-9,14H,1-2H3/b19-11+/t14-/m0/s1
InChIKeyPJFNNAPNFPGSGO-YRIIZNAFSA-N
MW281.28 g/mol
LogP4.70
Rot. Bonds3

About 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine

1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine (PubChem CID 58736678) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine
PubChem CID58736678
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine
SMILESC/C(=N\[C@@H](c1ccc(C)o1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H14F3NO/c1-10-8-9-13(20-10)14(15(16,17)18)19-11(2)12-6-4-3-5-7-12/h3-9,14H,1-2H3/b19-11+/t14-/m0/s1
InChIKeyPJFNNAPNFPGSGO-YRIIZNAFSA-N
XLogP4.70
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.70
H-Bond Donors ≤ 50
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 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine?
The IUPAC name of 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine (CID 58736678) is 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine.
What is the SMILES notation for 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine?
The canonical SMILES for 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine is C/C(=N\[C@@H](c1ccc(C)o1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine?
The InChIKey is PJFNNAPNFPGSGO-YRIIZNAFSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10-8-9-13(20-10)14(15(16,17)18)19-11(2)12-6-4-3-5-7-12/h3-9,14H,1-2H3/b19-11+/t14-/m0/s1.
What are the key properties of 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine?
1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine has a molecular weight of 281.28 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine is sourced from PubChem (CID 58736678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).