1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine

C15H11F4NO — CID 76854415

IUPAC1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
SMILESFc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F4NO/c16-14-7-3-11(4-8-14)9-20-21-10-12-1-5-13(6-2-12)15(17,18)19/h1-9H,10H2
InChIKeyHSBWAOLPZBQYNO-UHFFFAOYSA-N
MW297.25 g/mol
LogP4.40
Rot. Bonds4

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

1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine (PubChem CID 76854415) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
PubChem CID76854415
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC Name1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
SMILESFc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F4NO/c16-14-7-3-11(4-8-14)9-20-21-10-12-1-5-13(6-2-12)15(17,18)19/h1-9H,10H2
InChIKeyHSBWAOLPZBQYNO-UHFFFAOYSA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 54.40
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 1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine (CID 76854415) is 1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine is Fc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The InChIKey is HSBWAOLPZBQYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c16-14-7-3-11(4-8-14)9-20-21-10-12-1-5-13(6-2-12)15(17,18)19/h1-9H,10H2.
What are the key properties of 1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine has a molecular weight of 297.25 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine is sourced from PubChem (CID 76854415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).