4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine

C14H19FN2O3 — CID 102745011

IUPAC4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(c2cc(F)cc([N+](=O)[O-])c2)CC(C)(C)O1
InChIInChI=1S/C14H19FN2O3/c1-13(2)8-16(9-14(3,4)20-13)11-5-10(15)6-12(7-11)17(18)19/h5-7H,8-9H2,1-4H3
InChIKeyZDJLQLPKJIXIDA-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.13
Rot. Bonds2

About 4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine

4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine (PubChem CID 102745011) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine
PubChem CID102745011
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(c2cc(F)cc([N+](=O)[O-])c2)CC(C)(C)O1
InChIInChI=1S/C14H19FN2O3/c1-13(2)8-16(9-14(3,4)20-13)11-5-10(15)6-12(7-11)17(18)19/h5-7H,8-9H2,1-4H3
InChIKeyZDJLQLPKJIXIDA-UHFFFAOYSA-N
XLogP3.13
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.13
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

4-(3-fluoro-5-nitrophenyl)-2,2,6-trimethylmorpholine
CID 80751861
4-(3-fluoro-5-nitrophenyl)piperazine-2,6-dione
CID 80748576
1-(3-fluoro-5-nitrophenyl)pyrrolidine
CID 22636164
1-(3-fluoro-5-nitrophenyl)-4-methylpiperidin-4-ol
CID 81115093
2-[1-(3-fluoro-5-nitrophenyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658097
4-(3-fluoro-5-nitrophenyl)-3,3-dimethylmorpholine
CID 80753340
1-(3-fluoro-5-nitrophenyl)-2,2-dimethylpyrrolidine
CID 80748110
1-(3-fluoro-5-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 107335736
4-(3-fluoro-5-nitrophenyl)-1,4-thiazepane 1,1-dioxide
CID 114083623
(3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine
CID 102986457
4-(3-fluoro-5-nitrophenyl)morpholine-2-carbonitrile
CID 80748458
3-(3-fluoro-5-nitrophenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314555

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine (CID 102745011) is 4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine is CC1(C)CN(c2cc(F)cc([N+](=O)[O-])c2)CC(C)(C)O1.
What is the InChIKey of 4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine?
The InChIKey is ZDJLQLPKJIXIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-13(2)8-16(9-14(3,4)20-13)11-5-10(15)6-12(7-11)17(18)19/h5-7H,8-9H2,1-4H3.
What are the key properties of 4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine?
4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine has a molecular weight of 282.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102745011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).