N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine

C14H10ClF2NO — CID 2800929

IUPACN-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine
SMILESFC(F)Oc1ccccc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF2NO/c15-11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)19-14(16)17/h1-9,14H/b18-9+
InChIKeyRWAKFPMLVOBIRC-GIJQJNRQSA-N
MW281.69 g/mol
LogP4.69
Rot. Bonds4

About N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine

N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine (PubChem CID 2800929) has the molecular formula C14H10ClF2NO and a molecular weight of 281.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine
PubChem CID2800929
Molecular FormulaC14H10ClF2NO
Molecular Weight281.69 g/mol
Exact Mass281.04
IUPAC NameN-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine
SMILESFC(F)Oc1ccccc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF2NO/c15-11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)19-14(16)17/h1-9,14H/b18-9+
InChIKeyRWAKFPMLVOBIRC-GIJQJNRQSA-N
XLogP4.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine (CID 2800929) is N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine is FC(F)Oc1ccccc1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine?
The InChIKey is RWAKFPMLVOBIRC-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H10ClF2NO/c15-11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)19-14(16)17/h1-9,14H/b18-9+.
What are the key properties of N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine?
N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine has a molecular weight of 281.69 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[2-(difluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 2800929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).