(Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine

C9H9F2NO — CID 168962614

IUPAC(Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine
SMILESCc1ccccc1/C=N\OC(F)F
InChIInChI=1S/C9H9F2NO/c1-7-4-2-3-5-8(7)6-12-13-9(10)11/h2-6,9H,1H3/b12-6-
InChIKeyWOWINZAWJVTWCL-SDQBBNPISA-N
MW185.17 g/mol
LogP2.57
Rot. Bonds3

About (Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine

(Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine (PubChem CID 168962614) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is (Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine
PubChem CID168962614
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine
SMILESCc1ccccc1/C=N\OC(F)F
InChIInChI=1S/C9H9F2NO/c1-7-4-2-3-5-8(7)6-12-13-9(10)11/h2-6,9H,1H3/b12-6-
InChIKeyWOWINZAWJVTWCL-SDQBBNPISA-N
XLogP2.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.57
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 (Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine?
The IUPAC name of (Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine (CID 168962614) is (Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine.
What is the SMILES notation for (Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine?
The canonical SMILES for (Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine is Cc1ccccc1/C=N\OC(F)F.
What is the InChIKey of (Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine?
The InChIKey is WOWINZAWJVTWCL-SDQBBNPISA-N. The full InChI is InChI=1S/C9H9F2NO/c1-7-4-2-3-5-8(7)6-12-13-9(10)11/h2-6,9H,1H3/b12-6-.
What are the key properties of (Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine?
(Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine has a molecular weight of 185.17 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine is sourced from PubChem (CID 168962614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).