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

C10H8F2N4O — CID 6858839

IUPAC(E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFC(F)Oc1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C10H8F2N4O/c11-10(12)17-9-3-1-8(2-4-9)5-15-16-6-13-14-7-16/h1-7,10H/b15-5+
InChIKeyMJCSGYFPHIQCIN-PJQLUOCWSA-N
MW238.20 g/mol
LogP1.76
Rot. Bonds4

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

(E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858839) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is (E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858839
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name(E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFC(F)Oc1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C10H8F2N4O/c11-10(12)17-9-3-1-8(2-4-9)5-15-16-6-13-14-7-16/h1-7,10H/b15-5+
InChIKeyMJCSGYFPHIQCIN-PJQLUOCWSA-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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Related Compounds

(Z)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5415389
1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 759377
1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 4776080
1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 690735
(Z)-1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5403379
(E)-1-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5349484
(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 112537966
(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 5404547
(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5425371
4-(difluoromethoxy)benzaldehyde
CID 2736986
(E)-1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 110339660
5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4557056

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 6858839) is (E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is FC(F)Oc1ccc(/C=N/n2cnnc2)cc1.
What is the InChIKey of (E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is MJCSGYFPHIQCIN-PJQLUOCWSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-10(12)17-9-3-1-8(2-4-9)5-15-16-6-13-14-7-16/h1-7,10H/b15-5+.
What are the key properties of (E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-[4-(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 (E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).