(2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone

C13H15FN2O4 — CID 43377399

IUPAC(2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone
SMILESCC1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC(C)O1
InChIInChI=1S/C13H15FN2O4/c1-8-6-15(7-9(2)20-8)13(17)11-5-10(16(18)19)3-4-12(11)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyCNCYONQQVXJRGQ-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.98
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone

(2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone (PubChem CID 43377399) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone
PubChem CID43377399
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone
SMILESCC1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC(C)O1
InChIInChI=1S/C13H15FN2O4/c1-8-6-15(7-9(2)20-8)13(17)11-5-10(16(18)19)3-4-12(11)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyCNCYONQQVXJRGQ-UHFFFAOYSA-N
XLogP1.98
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone (CID 43377399) is (2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone is CC1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone?
The InChIKey is CNCYONQQVXJRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-8-6-15(7-9(2)20-8)13(17)11-5-10(16(18)19)3-4-12(11)14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone?
(2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone has a molecular weight of 282.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(2-fluoro-5-nitrophenyl)methanone is sourced from PubChem (CID 43377399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).