3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine

C13H14F3NO2 — CID 134986322

IUPAC3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
SMILESCOCOC(=C=N[C@H](C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-10(11-6-4-3-5-7-11)17-8-12(13(14,15)16)19-9-18-2/h3-7,10H,9H2,1-2H3/t10-/m1/s1
InChIKeyAABTWGLUZLYLTG-SNVBAGLBSA-N
MW273.25 g/mol
LogP3.48
Rot. Bonds5

About 3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine

3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine (PubChem CID 134986322) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
PubChem CID134986322
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
SMILESCOCOC(=C=N[C@H](C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-10(11-6-4-3-5-7-11)17-8-12(13(14,15)16)19-9-18-2/h3-7,10H,9H2,1-2H3/t10-/m1/s1
InChIKeyAABTWGLUZLYLTG-SNVBAGLBSA-N
XLogP3.48
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine
CID 14436608
(Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
CID 134920705
(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine
CID 134920915
3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
CID 134920916
N-benzyl-3,3,3-trifluoro-2-(methoxymethoxy)prop-1-en-1-imine
CID 134986240
(2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine
CID 13479347
2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine
CID 101266837
methyl 3,3,3-trifluoro-2-[(1S)-1-phenylethyl]iminopropanoate
CID 132504802
1-[(2-methylpropan-2-yl)oxy]-N-[(1S)-1-phenylpropyl]methanimidate
CID 57553425

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine?
The IUPAC name of 3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine (CID 134986322) is 3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine.
What is the SMILES notation for 3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine?
The canonical SMILES for 3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine is COCOC(=C=N[C@H](C)c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine?
The InChIKey is AABTWGLUZLYLTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-10(11-6-4-3-5-7-11)17-8-12(13(14,15)16)19-9-18-2/h3-7,10H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine?
3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine has a molecular weight of 273.25 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine is sourced from PubChem (CID 134986322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).