2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde

C13H16FNO2 — CID 18455579

IUPAC2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde
SMILESCC1CN(c2ccc(F)cc2C=O)CC(C)O1
InChIInChI=1S/C13H16FNO2/c1-9-6-15(7-10(2)17-9)13-4-3-12(14)5-11(13)8-16/h3-5,8-10H,6-7H2,1-2H3
InChIKeyRNUQESWOTDOHNX-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.25
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde

2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde (PubChem CID 18455579) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde
PubChem CID18455579
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde
SMILESCC1CN(c2ccc(F)cc2C=O)CC(C)O1
InChIInChI=1S/C13H16FNO2/c1-9-6-15(7-10(2)17-9)13-4-3-12(14)5-11(13)8-16/h3-5,8-10H,6-7H2,1-2H3
InChIKeyRNUQESWOTDOHNX-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'}

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Related Compounds

2-Fluoro-6-(pyrrolidin-1-yl)benzaldehyde
CID 3822448
4-Morpholinoacetophenone
CID 38362
4'-Morpholinopropiophenone
CID 268475
4-Morpholinobenzaldehyde
CID 291349
3'-Fluoro-4'-morpholinoacetophenone
CID 775596
Benzaldehyde, (dimethylamino)-
CID 34289
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
1-(3-Fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
1-(2-Amino-5-morpholinophenyl)-1-ethanone
CID 1480692
(E)-3-(3-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 5822329
1-(3-Fluoro-4-morpholin-4-ylphenyl)propan-1-one
CID 610348
1-(3-Morpholin-4-yl-phenyl)-ethanone
CID 7148650

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde (CID 18455579) is 2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde is CC1CN(c2ccc(F)cc2C=O)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde?
The InChIKey is RNUQESWOTDOHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-6-15(7-10(2)17-9)13-4-3-12(14)5-11(13)8-16/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde?
2-(2,6-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-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde is sourced from PubChem (CID 18455579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).