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

C11H12F3NO — CID 11229989

IUPAC2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
SMILESCOC[C@H](/N=C/C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO/c1-16-7-10(15-8-11(12,13)14)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/b15-8+/t10-/m0/s1
InChIKeyHUUFVGUMNXDTFM-CYANDVJASA-N
MW231.22 g/mol
LogP3.01
Rot. Bonds4

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

2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine (PubChem CID 11229989) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
PubChem CID11229989
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
SMILESCOC[C@H](/N=C/C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO/c1-16-7-10(15-8-11(12,13)14)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/b15-8+/t10-/m0/s1
InChIKeyHUUFVGUMNXDTFM-CYANDVJASA-N
XLogP3.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine with MolForge

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Related Compounds

AG-H-02521
CID 5325154
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462
4-(2,5-Difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323655
(RS)-4-(2,4-Difluoro-phenyl)-4,5-dihydro-oxazol-2-ylamine
CID 59323878
(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
2-Methoxy-1-phenylethan-1-amine
CID 11105539
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
2-Methoxy-1-(3-(trifluoromethyl)phenyl)ethan-1-amine
CID 16783958
1-(4-Fluorophenyl)-2-methoxyethan-1-amine
CID 16794201

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine?
The IUPAC name of 2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine (CID 11229989) is 2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine is COC[C@H](/N=C/C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine?
The InChIKey is HUUFVGUMNXDTFM-CYANDVJASA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-7-10(15-8-11(12,13)14)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/b15-8+/t10-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine?
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine has a molecular weight of 231.22 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine is sourced from PubChem (CID 11229989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).