N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine

C15H16F3NO2 — CID 14436608

IUPACN-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine
SMILESFC(F)(F)C(=C=NCc1ccccc1)OC1CCCCO1
InChIInChI=1S/C15H16F3NO2/c16-15(17,18)13(21-14-8-4-5-9-20-14)11-19-10-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-10H2
InChIKeyNHIQAQDNPZWTDF-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.85
Rot. Bonds4

About N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine

N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine (PubChem CID 14436608) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine.

Molecular Properties

Compound NameN-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine
PubChem CID14436608
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine
SMILESFC(F)(F)C(=C=NCc1ccccc1)OC1CCCCO1
InChIInChI=1S/C15H16F3NO2/c16-15(17,18)13(21-14-8-4-5-9-20-14)11-19-10-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-10H2
InChIKeyNHIQAQDNPZWTDF-UHFFFAOYSA-N
XLogP3.85
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.85
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'}

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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
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
3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
CID 134986322
N-benzyl-5-(oxan-2-yloxy)pentan-1-imine
CID 177454410

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine?
The IUPAC name of N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine (CID 14436608) is N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine.
What is the SMILES notation for N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine?
The canonical SMILES for N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine is FC(F)(F)C(=C=NCc1ccccc1)OC1CCCCO1.
What is the InChIKey of N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine?
The InChIKey is NHIQAQDNPZWTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c16-15(17,18)13(21-14-8-4-5-9-20-14)11-19-10-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-10H2.
What are the key properties of N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine?
N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine has a molecular weight of 299.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine is sourced from PubChem (CID 14436608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).