3-(4-fluoro-2-morpholin-4-ylphenyl)butanal

C14H18FNO2 — CID 117107597

IUPAC3-(4-fluoro-2-morpholin-4-ylphenyl)butanal
SMILESCC(CC=O)c1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C14H18FNO2/c1-11(4-7-17)13-3-2-12(15)10-14(13)16-5-8-18-9-6-16/h2-3,7,10-11H,4-6,8-9H2,1H3
InChIKeyFVSMHBTZRMSSPT-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.35
Rot. Bonds4

About 3-(4-fluoro-2-morpholin-4-ylphenyl)butanal

3-(4-fluoro-2-morpholin-4-ylphenyl)butanal (PubChem CID 117107597) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(4-fluoro-2-morpholin-4-ylphenyl)butanal.

Molecular Properties

Compound Name3-(4-fluoro-2-morpholin-4-ylphenyl)butanal
PubChem CID117107597
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-(4-fluoro-2-morpholin-4-ylphenyl)butanal
SMILESCC(CC=O)c1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C14H18FNO2/c1-11(4-7-17)13-3-2-12(15)10-14(13)16-5-8-18-9-6-16/h2-3,7,10-11H,4-6,8-9H2,1H3
InChIKeyFVSMHBTZRMSSPT-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.35
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

1-(3-Fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
1-(3-Fluoro-4-morpholin-4-ylphenyl)propan-1-one
CID 610348
3'-Fluoro-4'-morpholinoacetophenone
CID 775596
3-Methyl-4-morpholin-4-ylbenzaldehyde
CID 7148600
1-[2-Fluoro-6-(morpholin-4-yl)phenyl]ethan-1-one
CID 28414168
2-Fluoro-4-morpholin-4-ylbenzaldehyde
CID 7148609
3-[2-(Azocan-1-yl)-5-fluorophenyl]propanal
CID 73332873
(9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde
CID 73332874
5-Fluoro-2-(morpholin-4-yl)benzaldehyde
CID 26188754
3-Fluoro-4-morpholin-4-ylbenzaldehyde
CID 6486949
Ethyl 2-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetate
CID 13690798
Ethyl 2-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetate
CID 13690800

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-morpholin-4-ylphenyl)butanal?
The IUPAC name of 3-(4-fluoro-2-morpholin-4-ylphenyl)butanal (CID 117107597) is 3-(4-fluoro-2-morpholin-4-ylphenyl)butanal.
What is the SMILES notation for 3-(4-fluoro-2-morpholin-4-ylphenyl)butanal?
The canonical SMILES for 3-(4-fluoro-2-morpholin-4-ylphenyl)butanal is CC(CC=O)c1ccc(F)cc1N1CCOCC1.
What is the InChIKey of 3-(4-fluoro-2-morpholin-4-ylphenyl)butanal?
The InChIKey is FVSMHBTZRMSSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11(4-7-17)13-3-2-12(15)10-14(13)16-5-8-18-9-6-16/h2-3,7,10-11H,4-6,8-9H2,1H3.
What are the key properties of 3-(4-fluoro-2-morpholin-4-ylphenyl)butanal?
3-(4-fluoro-2-morpholin-4-ylphenyl)butanal has a molecular weight of 251.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-morpholin-4-ylphenyl)butanal is sourced from PubChem (CID 117107597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).