1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine

C10H10F2N2O2 — CID 91304374

IUPAC1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine
SMILESCON=C(c1ccc(F)cc1F)C(C)N=O
InChIInChI=1S/C10H10F2N2O2/c1-6(13-15)10(14-16-2)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3
InChIKeySTLUARACPXGTLK-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.47
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine

1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine (PubChem CID 91304374) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine
PubChem CID91304374
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine
SMILESCON=C(c1ccc(F)cc1F)C(C)N=O
InChIInChI=1S/C10H10F2N2O2/c1-6(13-15)10(14-16-2)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3
InChIKeySTLUARACPXGTLK-UHFFFAOYSA-N
XLogP2.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
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 1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine (CID 91304374) is 1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine is CON=C(c1ccc(F)cc1F)C(C)N=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine?
The InChIKey is STLUARACPXGTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c1-6(13-15)10(14-16-2)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine?
1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine has a molecular weight of 228.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methoxy-2-nitrosopropan-1-imine is sourced from PubChem (CID 91304374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).