N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine

C12H12F3NO2 — CID 175759950

IUPACN-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(C=NOC2CCCO2)cc1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)10-5-3-9(4-6-10)8-16-18-11-2-1-7-17-11/h3-6,8,11H,1-2,7H2
InChIKeyGCIXJDLWIXICTB-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.19
Rot. Bonds3

About N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine

N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 175759950) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID175759950
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC NameN-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(C=NOC2CCCO2)cc1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)10-5-3-9(4-6-10)8-16-18-11-2-1-7-17-11/h3-6,8,11H,1-2,7H2
InChIKeyGCIXJDLWIXICTB-UHFFFAOYSA-N
XLogP3.19
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine (CID 175759950) is N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(C=NOC2CCCO2)cc1.
What is the InChIKey of N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is GCIXJDLWIXICTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)10-5-3-9(4-6-10)8-16-18-11-2-1-7-17-11/h3-6,8,11H,1-2,7H2.
What are the key properties of N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine?
N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 259.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 175759950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).