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'}

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Related Compounds

2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
2-(2,2-dimethylmorpholin-4-yl)benzoic acid
CID 43592982
2-(4-tert-butylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 61433274
5-fluoro-2-(4-propan-2-ylpiperazin-1-yl)benzaldehyde
CID 43585389
2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline
CID 60790067
5-chloro-2-(3,3-dimethylpyrrolidin-1-yl)benzaldehyde
CID 114844443
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorobenzaldehyde
CID 115560388
[5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine
CID 62494323
6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43592539
5-amino-2-(2,2-dimethylmorpholin-4-yl)-N-methylbenzenesulfonamide
CID 103286780
2,2-dimethyl-4-phenylmorpholine
CID 15576765

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).