methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate

C16H15F2NO6 — CID 7665331

IUPACmethyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CO/N=C\c2ccc(OC(F)F)c(OC)c2)o1
InChIInChI=1S/C16H15F2NO6/c1-21-14-7-10(3-5-12(14)25-16(17)18)8-19-23-9-11-4-6-13(24-11)15(20)22-2/h3-8,16H,9H2,1-2H3/b19-8-
InChIKeyHYJGXLNCQPGMKO-UWVJOHFNSA-N
MW355.29 g/mol
LogP3.23
Rot. Bonds8

About methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate

methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate (PubChem CID 7665331) has the molecular formula C16H15F2NO6 and a molecular weight of 355.29 g/mol. Its IUPAC name is methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate
PubChem CID7665331
Molecular FormulaC16H15F2NO6
Molecular Weight355.29 g/mol
Exact Mass355.09
IUPAC Namemethyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CO/N=C\c2ccc(OC(F)F)c(OC)c2)o1
InChIInChI=1S/C16H15F2NO6/c1-21-14-7-10(3-5-12(14)25-16(17)18)8-19-23-9-11-4-6-13(24-11)15(20)22-2/h3-8,16H,9H2,1-2H3/b19-8-
InChIKeyHYJGXLNCQPGMKO-UWVJOHFNSA-N
XLogP3.23
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
CID 2606973
(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 75394681
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202
1-[3-[[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 6905479
methyl 5-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7726518
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2438469
N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 76856045
methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate
CID 7704176
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7665044
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
(E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine
CID 75535927

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate (CID 7665331) is methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(CO/N=C\c2ccc(OC(F)F)c(OC)c2)o1.
What is the InChIKey of methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate?
The InChIKey is HYJGXLNCQPGMKO-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H15F2NO6/c1-21-14-7-10(3-5-12(14)25-16(17)18)8-19-23-9-11-4-6-13(24-11)15(20)22-2/h3-8,16H,9H2,1-2H3/b19-8-.
What are the key properties of methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate?
methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate has a molecular weight of 355.29 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 7665331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).