1-(4-fluorophenyl)-N-methylmethanimine oxide

C8H8FNO — CID 5392831

IUPAC1-(4-fluorophenyl)-N-methylmethanimine oxide
SMILESC/[N+]([O-])=C\c1ccc(F)cc1
InChIInChI=1S/C8H8FNO/c1-10(11)6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6+
InChIKeyHRHPMQVDRBIGNU-UXBLZVDNSA-N
MW153.16 g/mol
LogP1.38
Rot. Bonds1

About 1-(4-fluorophenyl)-N-methylmethanimine oxide

1-(4-fluorophenyl)-N-methylmethanimine oxide (PubChem CID 5392831) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methylmethanimine oxide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methylmethanimine oxide
PubChem CID5392831
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name1-(4-fluorophenyl)-N-methylmethanimine oxide
SMILESC/[N+]([O-])=C\c1ccc(F)cc1
InChIInChI=1S/C8H8FNO/c1-10(11)6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6+
InChIKeyHRHPMQVDRBIGNU-UXBLZVDNSA-N
XLogP1.38
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methylmethanimine oxide?
The IUPAC name of 1-(4-fluorophenyl)-N-methylmethanimine oxide (CID 5392831) is 1-(4-fluorophenyl)-N-methylmethanimine oxide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methylmethanimine oxide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methylmethanimine oxide is C/[N+]([O-])=C\c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methylmethanimine oxide?
The InChIKey is HRHPMQVDRBIGNU-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H8FNO/c1-10(11)6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6+.
What are the key properties of 1-(4-fluorophenyl)-N-methylmethanimine oxide?
1-(4-fluorophenyl)-N-methylmethanimine oxide has a molecular weight of 153.16 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methylmethanimine oxide is sourced from PubChem (CID 5392831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).