1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

C10H8F2N4O — CID 2315444

IUPAC1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFC(F)Oc1ccccc1C=Nn1cnnc1
InChIInChI=1S/C10H8F2N4O/c11-10(12)17-9-4-2-1-3-8(9)5-15-16-6-13-14-7-16/h1-7,10H
InChIKeyFGUMFIYJTUILSD-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.76
Rot. Bonds4

About 1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 2315444) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID2315444
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFC(F)Oc1ccccc1C=Nn1cnnc1
InChIInChI=1S/C10H8F2N4O/c11-10(12)17-9-4-2-1-3-8(9)5-15-16-6-13-14-7-16/h1-7,10H
InChIKeyFGUMFIYJTUILSD-UHFFFAOYSA-N
XLogP1.76
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 2315444) is 1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is FC(F)Oc1ccccc1C=Nn1cnnc1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is FGUMFIYJTUILSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-10(12)17-9-4-2-1-3-8(9)5-15-16-6-13-14-7-16/h1-7,10H.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 238.20 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 2315444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).