methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate

C11H12F2N2O3 — CID 5098405

IUPACmethyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate
SMILESCOC(=O)NN=C(C)c1ccccc1OC(F)F
InChIInChI=1S/C11H12F2N2O3/c1-7(14-15-11(16)17-2)8-5-3-4-6-9(8)18-10(12)13/h3-6,10H,1-2H3,(H,15,16)
InChIKeyAYHDJPXWIPFMNR-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.37
Rot. Bonds4

About methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate

methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate (PubChem CID 5098405) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate
PubChem CID5098405
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Namemethyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate
SMILESCOC(=O)NN=C(C)c1ccccc1OC(F)F
InChIInChI=1S/C11H12F2N2O3/c1-7(14-15-11(16)17-2)8-5-3-4-6-9(8)18-10(12)13/h3-6,10H,1-2H3,(H,15,16)
InChIKeyAYHDJPXWIPFMNR-UHFFFAOYSA-N
XLogP2.37
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate?
The IUPAC name of methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate (CID 5098405) is methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate?
The canonical SMILES for methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate is COC(=O)NN=C(C)c1ccccc1OC(F)F.
What is the InChIKey of methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate?
The InChIKey is AYHDJPXWIPFMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-7(14-15-11(16)17-2)8-5-3-4-6-9(8)18-10(12)13/h3-6,10H,1-2H3,(H,15,16).
What are the key properties of methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate?
methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate has a molecular weight of 258.22 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate is sourced from PubChem (CID 5098405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).