(Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine

C15H12F2N2O4 — CID 41076615

IUPAC(Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine
SMILESO=[N+]([O-])c1cccc(CO/N=C\c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C15H12F2N2O4/c16-15(17)23-14-6-4-11(5-7-14)9-18-22-10-12-2-1-3-13(8-12)19(20)21/h1-9,15H,10H2/b18-9-
InChIKeyBEMNOPAGCCZGQK-NVMNQCDNSA-N
MW322.27 g/mol
LogP3.75
Rot. Bonds7

About (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine

(Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine (PubChem CID 41076615) has the molecular formula C15H12F2N2O4 and a molecular weight of 322.27 g/mol. Its IUPAC name is (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine
PubChem CID41076615
Molecular FormulaC15H12F2N2O4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name(Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine
SMILESO=[N+]([O-])c1cccc(CO/N=C\c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C15H12F2N2O4/c16-15(17)23-14-6-4-11(5-7-14)9-18-22-10-12-2-1-3-13(8-12)19(20)21/h1-9,15H,10H2/b18-9-
InChIKeyBEMNOPAGCCZGQK-NVMNQCDNSA-N
XLogP3.75
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
(Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine
CID 31472099
1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone
CID 16959247
(E)-N-(1,3-benzodioxol-5-ylmethoxy)-1-(3-nitrophenyl)methanimine
CID 16545564
1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone
CID 9172281
(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
CID 7705187
N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 76856045
1-ethyl-3-[(Z)-[4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6036054
(E)-N-[4-(difluoromethoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7719725
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
(E)-N-ethoxy-1-[4-[2-(3-nitrophenoxy)ethyl]phenyl]methanimine;hydrochloride
CID 87902986
1-(2-nitrophenyl)-N-[[3-[[(2-nitrophenyl)methylideneamino]oxymethyl]phenyl]methoxy]methanimine
CID 2485291

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine?
The IUPAC name of (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine (CID 41076615) is (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine.
What is the SMILES notation for (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine?
The canonical SMILES for (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine is O=[N+]([O-])c1cccc(CO/N=C\c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine?
The InChIKey is BEMNOPAGCCZGQK-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12F2N2O4/c16-15(17)23-14-6-4-11(5-7-14)9-18-22-10-12-2-1-3-13(8-12)19(20)21/h1-9,15H,10H2/b18-9-.
What are the key properties of (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine?
(Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine has a molecular weight of 322.27 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine is sourced from PubChem (CID 41076615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).