N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine

C15H12F3NO — CID 75867087

IUPACN-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(C=NOCc2ccccc2)cc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)14-8-6-12(7-9-14)10-19-20-11-13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyBDNOJBSUCMLTME-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.26
Rot. Bonds4

About N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine

N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 75867087) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID75867087
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC NameN-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(C=NOCc2ccccc2)cc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)14-8-6-12(7-9-14)10-19-20-11-13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyBDNOJBSUCMLTME-UHFFFAOYSA-N
XLogP4.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine (CID 75867087) is N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(C=NOCc2ccccc2)cc1.
What is the InChIKey of N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is BDNOJBSUCMLTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)14-8-6-12(7-9-14)10-19-20-11-13-4-2-1-3-5-13/h1-10H,11H2.
What are the key properties of N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine?
N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 279.26 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 75867087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).