1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione

C13H14FNO4 — CID 82122953

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione
SMILESCOc1ccc(C(=O)C(=O)N2CCOCC2)cc1F
InChIInChI=1S/C13H14FNO4/c1-18-11-3-2-9(8-10(11)14)12(16)13(17)15-4-6-19-7-5-15/h2-3,8H,4-7H2,1H3
InChIKeyPPTUKDAMDIYUQN-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.88
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione

1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione (PubChem CID 82122953) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione
PubChem CID82122953
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione
SMILESCOc1ccc(C(=O)C(=O)N2CCOCC2)cc1F
InChIInChI=1S/C13H14FNO4/c1-18-11-3-2-9(8-10(11)14)12(16)13(17)15-4-6-19-7-5-15/h2-3,8H,4-7H2,1H3
InChIKeyPPTUKDAMDIYUQN-UHFFFAOYSA-N
XLogP0.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82116829
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39939250
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
(3-fluoro-4-methoxyphenyl)-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 127248054
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
(3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333575
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
3-fluoro-4-methoxybenzoate
CID 4251674

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione (CID 82122953) is 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione is COc1ccc(C(=O)C(=O)N2CCOCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is PPTUKDAMDIYUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-18-11-3-2-9(8-10(11)14)12(16)13(17)15-4-6-19-7-5-15/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione?
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 267.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 82122953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).