4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol

C12H15FN2O4 — CID 131864632

IUPAC4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol
SMILESCCN1CCOC(O)(c2ccc([N+](=O)[O-])c(F)c2)C1
InChIInChI=1S/C12H15FN2O4/c1-2-14-5-6-19-12(16,8-14)9-3-4-11(15(17)18)10(13)7-9/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyQBBZDYSMXKIZMA-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.23
Rot. Bonds3

About 4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol

4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol (PubChem CID 131864632) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol.

Molecular Properties

Compound Name4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol
PubChem CID131864632
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol
SMILESCCN1CCOC(O)(c2ccc([N+](=O)[O-])c(F)c2)C1
InChIInChI=1S/C12H15FN2O4/c1-2-14-5-6-19-12(16,8-14)9-3-4-11(15(17)18)10(13)7-9/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyQBBZDYSMXKIZMA-UHFFFAOYSA-N
XLogP1.23
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.23
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-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol
CID 131864635
3-ethyl-1-(3-fluoro-4-nitrophenyl)sulfonylazetidin-3-ol
CID 82854292
[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81203095
1-[4-(3-fluoro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 21278913
1-(3-fluoro-4-nitrophenyl)propan-2-one
CID 118807590
3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol
CID 25143662
6-bromo-N-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]-3-nitropyridin-2-amine
CID 89494334
1-ethyl-4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazine
CID 12005086
4-[[(3-fluoro-4-nitrophenyl)methylamino]methyl]oxan-4-ol
CID 81130281
1-ethyl-4-(2-fluoro-5-methyl-4-nitrophenyl)piperazine
CID 2947734
1-[aziridin-1-yl-[2-(3-fluoro-4-nitrophenyl)ethyl]phosphoryl]aziridine
CID 166057378
N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide
CID 113248304

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol?
The IUPAC name of 4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol (CID 131864632) is 4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol.
What is the SMILES notation for 4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol?
The canonical SMILES for 4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol is CCN1CCOC(O)(c2ccc([N+](=O)[O-])c(F)c2)C1.
What is the InChIKey of 4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol?
The InChIKey is QBBZDYSMXKIZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-2-14-5-6-19-12(16,8-14)9-3-4-11(15(17)18)10(13)7-9/h3-4,7,16H,2,5-6,8H2,1H3.
What are the key properties of 4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol?
4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol has a molecular weight of 270.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol is sourced from PubChem (CID 131864632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).