4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine

C11H11F3N2O3 — CID 2775793

IUPAC4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-1-2-9(10(7-8)16(17)18)15-3-5-19-6-4-15/h1-2,7H,3-6H2
InChIKeyUNDXPKDBFOOQFC-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.45
Rot. Bonds2

About 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine

4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine (PubChem CID 2775793) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
PubChem CID2775793
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-1-2-9(10(7-8)16(17)18)15-3-5-19-6-4-15/h1-2,7H,3-6H2
InChIKeyUNDXPKDBFOOQFC-UHFFFAOYSA-N
XLogP2.45
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine (CID 2775793) is 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine is O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is UNDXPKDBFOOQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)8-1-2-9(10(7-8)16(17)18)15-3-5-19-6-4-15/h1-2,7H,3-6H2.
What are the key properties of 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine?
4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 276.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 2775793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).