1-(2-fluorophenyl)-N-methylmethanimine oxide

C8H8FNO — CID 75089224

IUPAC1-(2-fluorophenyl)-N-methylmethanimine oxide
SMILESC[N+]([O-])=Cc1ccccc1F
InChIInChI=1S/C8H8FNO/c1-10(11)6-7-4-2-3-5-8(7)9/h2-6H,1H3
InChIKeyDMKJTAVTMHQJBW-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.38
Rot. Bonds1

About 1-(2-fluorophenyl)-N-methylmethanimine oxide

1-(2-fluorophenyl)-N-methylmethanimine oxide (PubChem CID 75089224) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methylmethanimine oxide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methylmethanimine oxide
PubChem CID75089224
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name1-(2-fluorophenyl)-N-methylmethanimine oxide
SMILESC[N+]([O-])=Cc1ccccc1F
InChIInChI=1S/C8H8FNO/c1-10(11)6-7-4-2-3-5-8(7)9/h2-6H,1H3
InChIKeyDMKJTAVTMHQJBW-UHFFFAOYSA-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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Related Compounds

Benzaldehyde Oxime
CID 5324611
N-tert-Butyl-alpha-phenylnitrone
CID 638877
A-967079
CID 42641861
Phenylacetaldoxime
CID 99748
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Terephthalaldehyde dioxime
CID 135482632
Cinnamaldehyde oxime
CID 9561350
Ethanamine, N-(phenylmethylene)-
CID 111239
(E)-Phenylacetaldehyde oxime
CID 9638853
Syn-benzaldehyde oxime
CID 5324470
Benzaldehyde, p-fluoro-, oxime
CID 5372466

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methylmethanimine oxide?
The IUPAC name of 1-(2-fluorophenyl)-N-methylmethanimine oxide (CID 75089224) is 1-(2-fluorophenyl)-N-methylmethanimine oxide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methylmethanimine oxide?
The canonical SMILES for 1-(2-fluorophenyl)-N-methylmethanimine oxide is C[N+]([O-])=Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methylmethanimine oxide?
The InChIKey is DMKJTAVTMHQJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-10(11)6-7-4-2-3-5-8(7)9/h2-6H,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methylmethanimine oxide?
1-(2-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-(2-fluorophenyl)-N-methylmethanimine oxide is sourced from PubChem (CID 75089224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).