4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde

C11H11BrFNO2 — CID 129272355

IUPAC4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde
SMILESO=Cc1cc(F)c(Br)cc1N1CCOCC1
InChIInChI=1S/C11H11BrFNO2/c12-9-6-11(8(7-15)5-10(9)13)14-1-3-16-4-2-14/h5-7H,1-4H2
InChIKeyVARSOUDMLCMUNE-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.24
Rot. Bonds2

About 4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde

4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde (PubChem CID 129272355) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde
PubChem CID129272355
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde
SMILESO=Cc1cc(F)c(Br)cc1N1CCOCC1
InChIInChI=1S/C11H11BrFNO2/c12-9-6-11(8(7-15)5-10(9)13)14-1-3-16-4-2-14/h5-7H,1-4H2
InChIKeyVARSOUDMLCMUNE-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.24
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-Morpholinobenzaldehyde
CID 2737010
3-Bromo-4-morpholinobenzaldehyde
CID 23506020
3-Bromo-2-(morpholin-4-yl)benzaldehyde
CID 22728249
4-bromo-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 135058000
4-Bromo-2-(4-phenylpiperidin-1-yl)benz-aldehyde
CID 129753300
2-(4-Benzylpiperidin-1-yl)-4-bromobenzaldehyde
CID 129753467
5-Bromo-2-(piperidin-1-yl)benzaldehyde
CID 23091138
4-Bromo-2-(diethylamino)benzaldehyde
CID 43364626
5-Fluoro-2-(morpholin-4-yl)benzaldehyde
CID 26188754
4-bromo-2-[(3S)-3-ethoxypiperidin-1-yl]-6-fluorobenzamide
CID 97158591
2-(2,6-Dimethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 18455579
2-(N-Morpholinyl)-6-fluorobenzaldehyde
CID 19007451

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde?
The IUPAC name of 4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde (CID 129272355) is 4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde.
What is the SMILES notation for 4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde?
The canonical SMILES for 4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde is O=Cc1cc(F)c(Br)cc1N1CCOCC1.
What is the InChIKey of 4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde?
The InChIKey is VARSOUDMLCMUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-9-6-11(8(7-15)5-10(9)13)14-1-3-16-4-2-14/h5-7H,1-4H2.
What are the key properties of 4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde?
4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde has a molecular weight of 288.12 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-morpholin-4-ylbenzaldehyde is sourced from PubChem (CID 129272355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).