2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine

C15H14F3NO — CID 58736185

IUPAC2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine
SMILESCc1ccc(/C(=N/[C@H](C)c2ccccc2)C(F)(F)F)o1
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/h3-9,11H,1-2H3/b19-14-/t11-/m1/s1
InChIKeyDDPMRYKCVUIOFV-PFMFLNCGSA-N
MW281.28 g/mol
LogP4.70
Rot. Bonds3

About 2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine

2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine (PubChem CID 58736185) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine
PubChem CID58736185
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine
SMILESCc1ccc(/C(=N/[C@H](C)c2ccccc2)C(F)(F)F)o1
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/h3-9,11H,1-2H3/b19-14-/t11-/m1/s1
InChIKeyDDPMRYKCVUIOFV-PFMFLNCGSA-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 2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine?
The IUPAC name of 2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine (CID 58736185) is 2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine is Cc1ccc(/C(=N/[C@H](C)c2ccccc2)C(F)(F)F)o1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine?
The InChIKey is DDPMRYKCVUIOFV-PFMFLNCGSA-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/h3-9,11H,1-2H3/b19-14-/t11-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine?
2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]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 2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine is sourced from PubChem (CID 58736185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).