1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine

C10H11FN2O2 — CID 54031066

IUPAC1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine
SMILESCON=C(c1ccc(F)cc1)C(C)N=O
InChIInChI=1S/C10H11FN2O2/c1-7(12-14)10(13-15-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKeyLFQDPUMEMPPWFF-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.33
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine

1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine (PubChem CID 54031066) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine
PubChem CID54031066
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine
SMILESCON=C(c1ccc(F)cc1)C(C)N=O
InChIInChI=1S/C10H11FN2O2/c1-7(12-14)10(13-15-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKeyLFQDPUMEMPPWFF-UHFFFAOYSA-N
XLogP2.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.33
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-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine (CID 54031066) is 1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine is CON=C(c1ccc(F)cc1)C(C)N=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine?
The InChIKey is LFQDPUMEMPPWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-7(12-14)10(13-15-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine?
1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine has a molecular weight of 210.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxy-2-nitrosopropan-1-imine is sourced from PubChem (CID 54031066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).