2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde

C12H14FNO2 — CID 170587273

IUPAC2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde
SMILESCc1cc(N2CCOCC2)cc(F)c1C=O
InChIInChI=1S/C12H14FNO2/c1-9-6-10(7-12(13)11(9)8-15)14-2-4-16-5-3-14/h6-8H,2-5H2,1H3
InChIKeyXBPSLZIDYNGHOG-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.78
Rot. Bonds2

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

2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde (PubChem CID 170587273) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde
PubChem CID170587273
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde
SMILESCc1cc(N2CCOCC2)cc(F)c1C=O
InChIInChI=1S/C12H14FNO2/c1-9-6-10(7-12(13)11(9)8-15)14-2-4-16-5-3-14/h6-8H,2-5H2,1H3
InChIKeyXBPSLZIDYNGHOG-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.78
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

ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone
CID 177031956
2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
CID 170587481
2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde
CID 23005067
2,3-dimethyl-5-morpholin-4-ylbenzoic acid
CID 79694761
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
4-[3,5-dimethyl-4-[(E)-2-piperidin-4-ylethenyl]phenyl]morpholine
CID 11722361
2-ethyl-6-methyl-4-morpholin-4-ylaniline
CID 83707293
2-(3,4-difluorophenyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11574057
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
3-(2-fluoro-4-methylphenyl)-5-morpholin-4-ylbenzoic acid
CID 68733191
N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
CID 126081286
4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200886

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde?
The IUPAC name of 2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde (CID 170587273) is 2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde.
What is the SMILES notation for 2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde?
The canonical SMILES for 2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde is Cc1cc(N2CCOCC2)cc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde?
The InChIKey is XBPSLZIDYNGHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-9-6-10(7-12(13)11(9)8-15)14-2-4-16-5-3-14/h6-8H,2-5H2,1H3.
What are the key properties of 2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde?
2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde has a molecular weight of 223.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde is sourced from PubChem (CID 170587273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).