5-fluoro-2-morpholin-4-ylbenzaldehyde

C11H12FNO2 — CID 26188754

IUPAC5-fluoro-2-morpholin-4-ylbenzaldehyde
SMILESO=Cc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C11H12FNO2/c12-10-1-2-11(9(7-10)8-14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
InChIKeyNWHGWDIHGAODKI-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.47
Rot. Bonds2

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

5-fluoro-2-morpholin-4-ylbenzaldehyde (PubChem CID 26188754) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-fluoro-2-morpholin-4-ylbenzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-morpholin-4-ylbenzaldehyde
PubChem CID26188754
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name5-fluoro-2-morpholin-4-ylbenzaldehyde
SMILESO=Cc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C11H12FNO2/c12-10-1-2-11(9(7-10)8-14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
InChIKeyNWHGWDIHGAODKI-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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Related Compounds

2-Fluoro-6-(pyrrolidin-1-yl)benzaldehyde
CID 3822448
4-Morpholinoacetophenone
CID 38362
4-(Piperidin-1-yl)benzaldehyde
CID 291354
2-(Morpholine-4-carbonyl)aniline
CID 726276
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
4'-Morpholinopropiophenone
CID 268475
4-Morpholinobenzaldehyde
CID 291349
3'-Fluoro-4'-morpholinoacetophenone
CID 775596
Benzaldehyde, (dimethylamino)-
CID 34289
N-(2-carbamoylphenyl)morpholine-4-carboxamide
CID 788807
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
2-[(Morpholin-4-ylacetyl)amino]benzamide
CID 717339

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-morpholin-4-ylbenzaldehyde?
The IUPAC name of 5-fluoro-2-morpholin-4-ylbenzaldehyde (CID 26188754) is 5-fluoro-2-morpholin-4-ylbenzaldehyde.
What is the SMILES notation for 5-fluoro-2-morpholin-4-ylbenzaldehyde?
The canonical SMILES for 5-fluoro-2-morpholin-4-ylbenzaldehyde is O=Cc1cc(F)ccc1N1CCOCC1.
What is the InChIKey of 5-fluoro-2-morpholin-4-ylbenzaldehyde?
The InChIKey is NWHGWDIHGAODKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-10-1-2-11(9(7-10)8-14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2.
What are the key properties of 5-fluoro-2-morpholin-4-ylbenzaldehyde?
5-fluoro-2-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 5-fluoro-2-morpholin-4-ylbenzaldehyde is sourced from PubChem (CID 26188754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).