[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol

C12H15FN2O4 — CID 81203095

IUPAC[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(CN2CCOC(CO)C2)cc1F
InChIInChI=1S/C12H15FN2O4/c13-11-5-9(1-2-12(11)15(17)18)6-14-3-4-19-10(7-14)8-16/h1-2,5,10,16H,3-4,6-8H2
InChIKeyDBJZCDSQROYTSL-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.93
Rot. Bonds4

About [4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol

[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol (PubChem CID 81203095) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is [4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol
PubChem CID81203095
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(CN2CCOC(CO)C2)cc1F
InChIInChI=1S/C12H15FN2O4/c13-11-5-9(1-2-12(11)15(17)18)6-14-3-4-19-10(7-14)8-16/h1-2,5,10,16H,3-4,6-8H2
InChIKeyDBJZCDSQROYTSL-UHFFFAOYSA-N
XLogP0.93
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol (CID 81203095) is [4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol is O=[N+]([O-])c1ccc(CN2CCOC(CO)C2)cc1F.
What is the InChIKey of [4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol?
The InChIKey is DBJZCDSQROYTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c13-11-5-9(1-2-12(11)15(17)18)6-14-3-4-19-10(7-14)8-16/h1-2,5,10,16H,3-4,6-8H2.
What are the key properties of [4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol?
[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol has a molecular weight of 270.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81203095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).