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

C16H18F3NO2 — CID 134920916

IUPAC3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
SMILESC[C@@H](N=C=C(OC1CCCCO1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H18F3NO2/c1-12(13-7-3-2-4-8-13)20-11-14(16(17,18)19)22-15-9-5-6-10-21-15/h2-4,7-8,12,15H,5-6,9-10H2,1H3/t12-,15?/m1/s1
InChIKeyJKAZHLPPIHYIBA-KEKZHRQWSA-N
MW313.32 g/mol
LogP4.41
Rot. Bonds4

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

3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine (PubChem CID 134920916) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
PubChem CID134920916
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
SMILESC[C@@H](N=C=C(OC1CCCCO1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H18F3NO2/c1-12(13-7-3-2-4-8-13)20-11-14(16(17,18)19)22-15-9-5-6-10-21-15/h2-4,7-8,12,15H,5-6,9-10H2,1H3/t12-,15?/m1/s1
InChIKeyJKAZHLPPIHYIBA-KEKZHRQWSA-N
XLogP4.41
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine with MolForge

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Related Compounds

(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine
CID 14436606
N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine
CID 14436608
(Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
CID 134920831
N-benzyl-3,3,3-trifluoro-2-(methoxymethoxy)prop-1-en-1-imine
CID 134986240
3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
CID 134986322
N-methyl-3-(oxan-2-yloxy)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 145853428
N-benzyl-5-(oxan-2-yloxy)pentan-1-imine
CID 177454410

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine?
The IUPAC name of 3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine (CID 134920916) is 3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine.
What is the SMILES notation for 3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine?
The canonical SMILES for 3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine is C[C@@H](N=C=C(OC1CCCCO1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine?
The InChIKey is JKAZHLPPIHYIBA-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H18F3NO2/c1-12(13-7-3-2-4-8-13)20-11-14(16(17,18)19)22-15-9-5-6-10-21-15/h2-4,7-8,12,15H,5-6,9-10H2,1H3/t12-,15?/m1/s1.
What are the key properties of 3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine?
3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine has a molecular weight of 313.32 g/mol, XLogP of 4.41, 4 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-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine is sourced from PubChem (CID 134920916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).