(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone

C11H10F2N2O4 — CID 2781778

IUPAC(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1c(F)ccc([N+](=O)[O-])c1F)N1CCOCC1
InChIInChI=1S/C11H10F2N2O4/c12-7-1-2-8(15(17)18)10(13)9(7)11(16)14-3-5-19-6-4-14/h1-2H,3-6H2
InChIKeyKRZCXYNWMQWJJY-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.35
Rot. Bonds2

About (2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone

(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone (PubChem CID 2781778) has the molecular formula C11H10F2N2O4 and a molecular weight of 272.21 g/mol. Its IUPAC name is (2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone
PubChem CID2781778
Molecular FormulaC11H10F2N2O4
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1c(F)ccc([N+](=O)[O-])c1F)N1CCOCC1
InChIInChI=1S/C11H10F2N2O4/c12-7-1-2-8(15(17)18)10(13)9(7)11(16)14-3-5-19-6-4-14/h1-2H,3-6H2
InChIKeyKRZCXYNWMQWJJY-UHFFFAOYSA-N
XLogP1.35
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.35
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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Related Compounds

(2,6-difluoro-3-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 103740582
(2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 79773761
4-(2,6-difluoro-3-nitrobenzoyl)piperazin-2-one
CID 79772708
(2,6-difluoro-3-nitrophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81469965
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
2,6-difluoro-3-nitrobenzamide
CID 2780101
oxan-4-yl 2,6-difluoro-3-nitrobenzoate
CID 107123586
(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
CID 70099135
(2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone
CID 107122901
(3-amino-2,6-difluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 79772968
(2,6-difluoro-3-nitrophenyl)-(2-ethylthiomorpholin-4-yl)methanone
CID 103740719
(2-amino-6-fluoro-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 107122860

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone (CID 2781778) is (2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone is O=C(c1c(F)ccc([N+](=O)[O-])c1F)N1CCOCC1.
What is the InChIKey of (2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone?
The InChIKey is KRZCXYNWMQWJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O4/c12-7-1-2-8(15(17)18)10(13)9(7)11(16)14-3-5-19-6-4-14/h1-2H,3-6H2.
What are the key properties of (2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone?
(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone has a molecular weight of 272.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2781778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).