2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol

C12H17FNO2+ — CID 2780868

IUPAC2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol
SMILESC[N+]1(C)CCOC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C12H17FNO2/c1-14(2)7-8-16-12(15,9-14)10-3-5-11(13)6-4-10/h3-6,15H,7-9H2,1-2H3/q+1
InChIKeyLPMKRPCHDMXLAH-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.08
Rot. Bonds1

About 2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol

2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol (PubChem CID 2780868) has the molecular formula C12H17FNO2+ and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol
PubChem CID2780868
Molecular FormulaC12H17FNO2+
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol
SMILESC[N+]1(C)CCOC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C12H17FNO2/c1-14(2)7-8-16-12(15,9-14)10-3-5-11(13)6-4-10/h3-6,15H,7-9H2,1-2H3/q+1
InChIKeyLPMKRPCHDMXLAH-UHFFFAOYSA-N
XLogP1.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol (CID 2780868) is 2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol is C[N+]1(C)CCOC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol?
The InChIKey is LPMKRPCHDMXLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FNO2/c1-14(2)7-8-16-12(15,9-14)10-3-5-11(13)6-4-10/h3-6,15H,7-9H2,1-2H3/q+1.
What are the key properties of 2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol?
2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol has a molecular weight of 226.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol is sourced from PubChem (CID 2780868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).