3-(2-fluoro-3-nitrophenyl)morpholine

C10H11FN2O3 — CID 130041591

IUPAC3-(2-fluoro-3-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cccc(C2COCCN2)c1F
InChIInChI=1S/C10H11FN2O3/c11-10-7(8-6-16-5-4-12-8)2-1-3-9(10)13(14)15/h1-3,8,12H,4-6H2
InChIKeyZCQWPEHRYWWUOT-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.39
Rot. Bonds2

About 3-(2-fluoro-3-nitrophenyl)morpholine

3-(2-fluoro-3-nitrophenyl)morpholine (PubChem CID 130041591) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 3-(2-fluoro-3-nitrophenyl)morpholine.

Molecular Properties

Compound Name3-(2-fluoro-3-nitrophenyl)morpholine
PubChem CID130041591
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name3-(2-fluoro-3-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cccc(C2COCCN2)c1F
InChIInChI=1S/C10H11FN2O3/c11-10-7(8-6-16-5-4-12-8)2-1-3-9(10)13(14)15/h1-3,8,12H,4-6H2
InChIKeyZCQWPEHRYWWUOT-UHFFFAOYSA-N
XLogP1.39
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-nitrophenyl)morpholine?
The IUPAC name of 3-(2-fluoro-3-nitrophenyl)morpholine (CID 130041591) is 3-(2-fluoro-3-nitrophenyl)morpholine.
What is the SMILES notation for 3-(2-fluoro-3-nitrophenyl)morpholine?
The canonical SMILES for 3-(2-fluoro-3-nitrophenyl)morpholine is O=[N+]([O-])c1cccc(C2COCCN2)c1F.
What is the InChIKey of 3-(2-fluoro-3-nitrophenyl)morpholine?
The InChIKey is ZCQWPEHRYWWUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-10-7(8-6-16-5-4-12-8)2-1-3-9(10)13(14)15/h1-3,8,12H,4-6H2.
What are the key properties of 3-(2-fluoro-3-nitrophenyl)morpholine?
3-(2-fluoro-3-nitrophenyl)morpholine has a molecular weight of 226.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-nitrophenyl)morpholine is sourced from PubChem (CID 130041591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).