(2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone

C10H8F2N2O4 — CID 79773761

IUPAC(2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1c(F)ccc([N+](=O)[O-])c1F)N1CC(O)C1
InChIInChI=1S/C10H8F2N2O4/c11-6-1-2-7(14(17)18)9(12)8(6)10(16)13-3-5(15)4-13/h1-2,5,15H,3-4H2
InChIKeyFAVMGQXXHAEPQG-UHFFFAOYSA-N
MW258.18 g/mol
LogP0.69
Rot. Bonds2

About (2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone

(2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 79773761) has the molecular formula C10H8F2N2O4 and a molecular weight of 258.18 g/mol. Its IUPAC name is (2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID79773761
Molecular FormulaC10H8F2N2O4
Molecular Weight258.18 g/mol
Exact Mass258.05
IUPAC Name(2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1c(F)ccc([N+](=O)[O-])c1F)N1CC(O)C1
InChIInChI=1S/C10H8F2N2O4/c11-6-1-2-7(14(17)18)9(12)8(6)10(16)13-3-5(15)4-13/h1-2,5,15H,3-4H2
InChIKeyFAVMGQXXHAEPQG-UHFFFAOYSA-N
XLogP0.69
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
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)-morpholin-4-ylmethanone
CID 2781778
(2,6-difluoro-3-nitrophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81469965
(2,6-difluoro-3-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 103740582
2,6-difluoro-3-nitrobenzamide
CID 2780101
(2-amino-6-fluoro-3-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 107123084
(2,6-difluoro-3-nitrophenyl)-(2-ethylthiomorpholin-4-yl)methanone
CID 103740719
4-(2,6-difluoro-3-nitrobenzoyl)piperazin-2-one
CID 79772708
(2-amino-6-fluoro-3-nitrophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 107123197
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide
CID 79768181
1-(2,6-difluoro-3-nitrophenyl)-2-methylsulfanylethanone
CID 79773473
2,6-difluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-nitrobenzamide
CID 79758984

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone (CID 79773761) is (2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone is O=C(c1c(F)ccc([N+](=O)[O-])c1F)N1CC(O)C1.
What is the InChIKey of (2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is FAVMGQXXHAEPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O4/c11-6-1-2-7(14(17)18)9(12)8(6)10(16)13-3-5(15)4-13/h1-2,5,15H,3-4H2.
What are the key properties of (2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone?
(2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 258.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 79773761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).