2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine

C10H10F3N — CID 10750577

IUPAC2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine
SMILESC[C@H](/N=C/C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H10F3N/c1-8(14-7-10(11,12)13)9-5-3-2-4-6-9/h2-8H,1H3/b14-7+/t8-/m0/s1
InChIKeyQNHOYNWFGIPENM-QZNXTOQNSA-N
MW201.19 g/mol
LogP3.38
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine

2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine (PubChem CID 10750577) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine
PubChem CID10750577
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine
SMILESC[C@H](/N=C/C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H10F3N/c1-8(14-7-10(11,12)13)9-5-3-2-4-6-9/h2-8H,1H3/b14-7+/t8-/m0/s1
InChIKeyQNHOYNWFGIPENM-QZNXTOQNSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-N-[(1S)-1-phenylethyl]ethanimine?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine (CID 10750577) is 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine is C[C@H](/N=C/C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine?
The InChIKey is QNHOYNWFGIPENM-QZNXTOQNSA-N. The full InChI is InChI=1S/C10H10F3N/c1-8(14-7-10(11,12)13)9-5-3-2-4-6-9/h2-8H,1H3/b14-7+/t8-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine?
2,2,2-trifluoro-N-[(1S)-1-phenylethyl]ethanimine has a molecular weight of 201.19 g/mol, XLogP of 3.38, 2 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-[(1S)-1-phenylethyl]ethanimine is sourced from PubChem (CID 10750577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).