(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone

C13H16FNO2 — CID 2916503

IUPAC(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(F)c2)CC(C)O1
InChIInChI=1S/C13H16FNO2/c1-9-7-15(8-10(2)17-9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyXIXAYXQQIUCREY-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.08
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone

(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone (PubChem CID 2916503) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone
PubChem CID2916503
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(F)c2)CC(C)O1
InChIInChI=1S/C13H16FNO2/c1-9-7-15(8-10(2)17-9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyXIXAYXQQIUCREY-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone (CID 2916503) is (2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone is CC1CN(C(=O)c2cccc(F)c2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone?
The InChIKey is XIXAYXQQIUCREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-7-15(8-10(2)17-9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone?
(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone has a molecular weight of 237.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 2916503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).