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

C14H12F3NO — CID 58736170

IUPAC1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine
SMILESC/C(=N\[C@@H](c1ccco1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H12F3NO/c1-10(11-6-3-2-4-7-11)18-13(14(15,16)17)12-8-5-9-19-12/h2-9,13H,1H3/b18-10+/t13-/m0/s1
InChIKeyWIKAHPAXFKNMHU-SGPNVBEDSA-N
MW267.25 g/mol
LogP4.39
Rot. Bonds3

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

1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine (PubChem CID 58736170) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine
PubChem CID58736170
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine
SMILESC/C(=N\[C@@H](c1ccco1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H12F3NO/c1-10(11-6-3-2-4-7-11)18-13(14(15,16)17)12-8-5-9-19-12/h2-9,13H,1H3/b18-10+/t13-/m0/s1
InChIKeyWIKAHPAXFKNMHU-SGPNVBEDSA-N
XLogP4.39
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.39
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-(furan-2-yl)ethyl]ethanimine?
The IUPAC name of 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine (CID 58736170) is 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine.
What is the SMILES notation for 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine?
The canonical SMILES for 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine is C/C(=N\[C@@H](c1ccco1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine?
The InChIKey is WIKAHPAXFKNMHU-SGPNVBEDSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-10(11-6-3-2-4-7-11)18-13(14(15,16)17)12-8-5-9-19-12/h2-9,13H,1H3/b18-10+/t13-/m0/s1.
What are the key properties of 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine?
1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine has a molecular weight of 267.25 g/mol, XLogP of 4.39, 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-(furan-2-yl)ethyl]ethanimine is sourced from PubChem (CID 58736170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).