2-fluoro-6-morpholin-4-ylbenzaldehyde

C11H12FNO2 — CID 19007451

IUPAC2-fluoro-6-morpholin-4-ylbenzaldehyde
SMILESO=Cc1c(F)cccc1N1CCOCC1
InChIInChI=1S/C11H12FNO2/c12-10-2-1-3-11(9(10)8-14)13-4-6-15-7-5-13/h1-3,8H,4-7H2
InChIKeyLKGUIUDMAGVHOX-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.47
Rot. Bonds2

About 2-fluoro-6-morpholin-4-ylbenzaldehyde

2-fluoro-6-morpholin-4-ylbenzaldehyde (PubChem CID 19007451) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-fluoro-6-morpholin-4-ylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-morpholin-4-ylbenzaldehyde
PubChem CID19007451
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-fluoro-6-morpholin-4-ylbenzaldehyde
SMILESO=Cc1c(F)cccc1N1CCOCC1
InChIInChI=1S/C11H12FNO2/c12-10-2-1-3-11(9(10)8-14)13-4-6-15-7-5-13/h1-3,8H,4-7H2
InChIKeyLKGUIUDMAGVHOX-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-morpholin-4-ylbenzaldehyde?
The IUPAC name of 2-fluoro-6-morpholin-4-ylbenzaldehyde (CID 19007451) is 2-fluoro-6-morpholin-4-ylbenzaldehyde.
What is the SMILES notation for 2-fluoro-6-morpholin-4-ylbenzaldehyde?
The canonical SMILES for 2-fluoro-6-morpholin-4-ylbenzaldehyde is O=Cc1c(F)cccc1N1CCOCC1.
What is the InChIKey of 2-fluoro-6-morpholin-4-ylbenzaldehyde?
The InChIKey is LKGUIUDMAGVHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-10-2-1-3-11(9(10)8-14)13-4-6-15-7-5-13/h1-3,8H,4-7H2.
What are the key properties of 2-fluoro-6-morpholin-4-ylbenzaldehyde?
2-fluoro-6-morpholin-4-ylbenzaldehyde has a molecular weight of 209.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-morpholin-4-ylbenzaldehyde is sourced from PubChem (CID 19007451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).