3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde

C13H14FNO4 — CID 112611706

IUPAC3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
SMILESO=Cc1cccc(F)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H14FNO4/c14-11-3-1-2-10(8-16)13(11)19-9-12(17)15-4-6-18-7-5-15/h1-3,8H,4-7,9H2
InChIKeyNDJDQKSGRVJFBX-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.88
Rot. Bonds4

About 3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde

3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde (PubChem CID 112611706) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
PubChem CID112611706
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
SMILESO=Cc1cccc(F)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H14FNO4/c14-11-3-1-2-10(8-16)13(11)19-9-12(17)15-4-6-18-7-5-15/h1-3,8H,4-7,9H2
InChIKeyNDJDQKSGRVJFBX-UHFFFAOYSA-N
XLogP0.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952550
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 97179232
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
2-(2-fluoro-6-formylphenoxy)-N-(2-fluorophenyl)acetamide
CID 115955813
N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide
CID 115955712
2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
CID 115952712
3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 28932844

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The IUPAC name of 3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde (CID 112611706) is 3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde is O=Cc1cccc(F)c1OCC(=O)N1CCOCC1.
What is the InChIKey of 3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
The InChIKey is NDJDQKSGRVJFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-11-3-1-2-10(8-16)13(11)19-9-12(17)15-4-6-18-7-5-15/h1-3,8H,4-7,9H2.
What are the key properties of 3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde?
3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde has a molecular weight of 267.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde is sourced from PubChem (CID 112611706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).