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

C11H11F3N2O3 — CID 612856

IUPAC4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)9-7-8(16(17)18)1-2-10(9)15-3-5-19-6-4-15/h1-2,7H,3-6H2
InChIKeyINQHSXGCAZQBBH-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.45
Rot. Bonds2

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

4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine (PubChem CID 612856) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine
PubChem CID612856
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)9-7-8(16(17)18)1-2-10(9)15-3-5-19-6-4-15/h1-2,7H,3-6H2
InChIKeyINQHSXGCAZQBBH-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-[4-nitro-2-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine (CID 612856) is 4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine?
The InChIKey is INQHSXGCAZQBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)9-7-8(16(17)18)1-2-10(9)15-3-5-19-6-4-15/h1-2,7H,3-6H2.
What are the key properties of 4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine?
4-[4-nitro-2-(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-[4-nitro-2-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 612856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).