1-[2-(difluoromethoxy)phenyl]-2-iminoethanone

C9H7F2NO2 — CID 56611833

IUPAC1-[2-(difluoromethoxy)phenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C9H7F2NO2/c10-9(11)14-8-4-2-1-3-6(8)7(13)5-12/h1-5,9,12H/b12-5+
InChIKeyJXWRFFWSMKRTCY-LFYBBSHMSA-N
MW199.16 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-(difluoromethoxy)phenyl]-2-iminoethanone

1-[2-(difluoromethoxy)phenyl]-2-iminoethanone (PubChem CID 56611833) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-iminoethanone.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-iminoethanone
PubChem CID56611833
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C9H7F2NO2/c10-9(11)14-8-4-2-1-3-6(8)7(13)5-12/h1-5,9,12H/b12-5+
InChIKeyJXWRFFWSMKRTCY-LFYBBSHMSA-N
XLogP2.12
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[2-(difluoromethoxy)phenyl]-2-iminoethanone?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-iminoethanone (CID 56611833) is 1-[2-(difluoromethoxy)phenyl]-2-iminoethanone.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-iminoethanone?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-iminoethanone is [H]/N=C/C(=O)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-iminoethanone?
The InChIKey is JXWRFFWSMKRTCY-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-9(11)14-8-4-2-1-3-6(8)7(13)5-12/h1-5,9,12H/b12-5+.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-iminoethanone?
1-[2-(difluoromethoxy)phenyl]-2-iminoethanone has a molecular weight of 199.16 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-iminoethanone is sourced from PubChem (CID 56611833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).