1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide

C9H12FNO — CID 86255338

IUPAC1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide
SMILESC[N+](C)([O-])Cc1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c1-11(2,12)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKeyLEIOUSWZANTLCI-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.90
Rot. Bonds2

About 1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide

1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide (PubChem CID 86255338) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide
PubChem CID86255338
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide
SMILESC[N+](C)([O-])Cc1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c1-11(2,12)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKeyLEIOUSWZANTLCI-UHFFFAOYSA-N
XLogP1.90
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide?
The IUPAC name of 1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide (CID 86255338) is 1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide?
The canonical SMILES for 1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide is C[N+](C)([O-])Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide?
The InChIKey is LEIOUSWZANTLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-11(2,12)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide?
1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide has a molecular weight of 169.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N-dimethylmethanamine oxide is sourced from PubChem (CID 86255338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).