2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde

C13H16FNO2 — CID 43592967

IUPAC2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde
SMILESCC1(C)CN(c2ccc(F)cc2C=O)CCO1
InChIInChI=1S/C13H16FNO2/c1-13(2)9-15(5-6-17-13)12-4-3-11(14)7-10(12)8-16/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyBHBMXFGZFZUKAM-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.25
Rot. Bonds2

About 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde

2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde (PubChem CID 43592967) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde
PubChem CID43592967
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde
SMILESCC1(C)CN(c2ccc(F)cc2C=O)CCO1
InChIInChI=1S/C13H16FNO2/c1-13(2)9-15(5-6-17-13)12-4-3-11(14)7-10(12)8-16/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyBHBMXFGZFZUKAM-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde (CID 43592967) is 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde is CC1(C)CN(c2ccc(F)cc2C=O)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde?
The InChIKey is BHBMXFGZFZUKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-13(2)9-15(5-6-17-13)12-4-3-11(14)7-10(12)8-16/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde?
2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde has a molecular weight of 237.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde is sourced from PubChem (CID 43592967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).