1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone

C13H16FNO2 — CID 116586217

IUPAC1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone
SMILESCc1cc(F)cc(C(=O)CC2CNCCO2)c1
InChIInChI=1S/C13H16FNO2/c1-9-4-10(6-11(14)5-9)13(16)7-12-8-15-2-3-17-12/h4-6,12,15H,2-3,7-8H2,1H3
InChIKeyCXKPJFCHTUGMRO-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.70
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone

1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone (PubChem CID 116586217) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone
PubChem CID116586217
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone
SMILESCc1cc(F)cc(C(=O)CC2CNCCO2)c1
InChIInChI=1S/C13H16FNO2/c1-9-4-10(6-11(14)5-9)13(16)7-12-8-15-2-3-17-12/h4-6,12,15H,2-3,7-8H2,1H3
InChIKeyCXKPJFCHTUGMRO-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116586161
1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone
CID 116919977
1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone
CID 105396502
1-(5-bromo-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116919972
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-2-ylethanone
CID 116586378
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201
N-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylacetamide
CID 66432981
2-morpholin-2-yl-1-(3-propylphenyl)ethanone
CID 116586299
2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone
CID 116586145
1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586513

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone (CID 116586217) is 1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone is Cc1cc(F)cc(C(=O)CC2CNCCO2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone?
The InChIKey is CXKPJFCHTUGMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-4-10(6-11(14)5-9)13(16)7-12-8-15-2-3-17-12/h4-6,12,15H,2-3,7-8H2,1H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone?
1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone has a molecular weight of 237.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 116586217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).