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

C13H16FNO2 — CID 116586161

IUPAC1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone
SMILESCc1ccc(F)cc1C(=O)CC1CNCCO1
InChIInChI=1S/C13H16FNO2/c1-9-2-3-10(14)6-12(9)13(16)7-11-8-15-4-5-17-11/h2-3,6,11,15H,4-5,7-8H2,1H3
InChIKeyFXASWRZKVVLUPW-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.70
Rot. Bonds3

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

1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone (PubChem CID 116586161) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone
PubChem CID116586161
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone
SMILESCc1ccc(F)cc1C(=O)CC1CNCCO1
InChIInChI=1S/C13H16FNO2/c1-9-2-3-10(14)6-12(9)13(16)7-11-8-15-4-5-17-11/h2-3,6,11,15H,4-5,7-8H2,1H3
InChIKeyFXASWRZKVVLUPW-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-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone
CID 105396502
1-(5-bromo-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116919972
1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone
CID 116586217
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 103543669
N-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylacetamide
CID 66432981
methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66428476
1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone
CID 116919977
1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-2-ylethanone
CID 116586378
4-fluoro-2-hydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107016017
1-(4-fluoro-2-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583575
N-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 113266175
N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 103808527

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone (CID 116586161) is 1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone is Cc1ccc(F)cc1C(=O)CC1CNCCO1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone?
The InChIKey is FXASWRZKVVLUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-2-3-10(14)6-12(9)13(16)7-11-8-15-4-5-17-11/h2-3,6,11,15H,4-5,7-8H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone?
1-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 116586161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).