[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol

C11H12F2N2O4 — CID 81219753

IUPAC[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(F)c(F)c1N1CCOC(CO)C1
InChIInChI=1S/C11H12F2N2O4/c12-8-1-2-9(15(17)18)11(10(8)13)14-3-4-19-7(5-14)6-16/h1-2,7,16H,3-6H2
InChIKeyJDEOYUZCUJELFA-UHFFFAOYSA-N
MW274.22 g/mol
LogP1.07
Rot. Bonds3

About [4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol

[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol (PubChem CID 81219753) has the molecular formula C11H12F2N2O4 and a molecular weight of 274.22 g/mol. Its IUPAC name is [4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol
PubChem CID81219753
Molecular FormulaC11H12F2N2O4
Molecular Weight274.22 g/mol
Exact Mass274.08
IUPAC Name[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(F)c(F)c1N1CCOC(CO)C1
InChIInChI=1S/C11H12F2N2O4/c12-8-1-2-9(15(17)18)11(10(8)13)14-3-4-19-7(5-14)6-16/h1-2,7,16H,3-6H2
InChIKeyJDEOYUZCUJELFA-UHFFFAOYSA-N
XLogP1.07
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[4-(2,3-difluoro-6-nitrophenyl)-5-methylmorpholin-2-yl]methanol
CID 81219444
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
(3S)-1-(2,3-difluoro-6-nitrophenyl)pyrrolidin-3-ol
CID 104892831
[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81203095
[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol
CID 104917843
(2,5-difluoro-4-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115772345
4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrobenzoic acid
CID 81204138
1-[4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrophenyl]ethanone
CID 79839438
1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol
CID 81116432
[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 166940465
[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692
1-(2,3-difluoro-6-nitrophenyl)piperidine-4-carbaldehyde
CID 62664325

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol (CID 81219753) is [4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol is O=[N+]([O-])c1ccc(F)c(F)c1N1CCOC(CO)C1.
What is the InChIKey of [4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol?
The InChIKey is JDEOYUZCUJELFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O4/c12-8-1-2-9(15(17)18)11(10(8)13)14-3-4-19-7(5-14)6-16/h1-2,7,16H,3-6H2.
What are the key properties of [4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol?
[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol has a molecular weight of 274.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 81219753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).