1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone

C14H18FNO3 — CID 116919897

IUPAC1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone
SMILESCCOc1ccc(C(=O)CC2COCCN2)cc1F
InChIInChI=1S/C14H18FNO3/c1-2-19-14-4-3-10(7-12(14)15)13(17)8-11-9-18-6-5-16-11/h3-4,7,11,16H,2,5-6,8-9H2,1H3
InChIKeyQUTAMLMEZKDJGO-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.79
Rot. Bonds5

About 1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone

1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone (PubChem CID 116919897) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone
PubChem CID116919897
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone
SMILESCCOc1ccc(C(=O)CC2COCCN2)cc1F
InChIInChI=1S/C14H18FNO3/c1-2-19-14-4-3-10(7-12(14)15)13(17)8-11-9-18-6-5-16-11/h3-4,7,11,16H,2,5-6,8-9H2,1H3
InChIKeyQUTAMLMEZKDJGO-UHFFFAOYSA-N
XLogP1.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
CID 81469263
1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone
CID 116595835
3-(4-ethoxy-3-fluorophenyl)morpholine
CID 82287553
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116919885
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
CID 81466302
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone
CID 116919914
1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
CID 95441414
3-(2-morpholin-3-ylacetyl)benzonitrile
CID 81467194

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone (CID 116919897) is 1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone is CCOc1ccc(C(=O)CC2COCCN2)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone?
The InChIKey is QUTAMLMEZKDJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-19-14-4-3-10(7-12(14)15)13(17)8-11-9-18-6-5-16-11/h3-4,7,11,16H,2,5-6,8-9H2,1H3.
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone?
1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone has a molecular weight of 267.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 116919897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).