4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one

C11H11F3N2O2 — CID 53417810

IUPAC4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one
SMILESNc1ccc(N2CCOCC2=O)cc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-5-7(1-2-9(8)15)16-3-4-18-6-10(16)17/h1-2,5H,3-4,6,15H2
InChIKeyWMRQVZVIPUTFMY-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.65
Rot. Bonds1

About 4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one

4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one (PubChem CID 53417810) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one
PubChem CID53417810
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one
SMILESNc1ccc(N2CCOCC2=O)cc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-5-7(1-2-9(8)15)16-3-4-18-6-10(16)17/h1-2,5H,3-4,6,15H2
InChIKeyWMRQVZVIPUTFMY-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one?
The IUPAC name of 4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one (CID 53417810) is 4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one is Nc1ccc(N2CCOCC2=O)cc1C(F)(F)F.
What is the InChIKey of 4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one?
The InChIKey is WMRQVZVIPUTFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)8-5-7(1-2-9(8)15)16-3-4-18-6-10(16)17/h1-2,5H,3-4,6,15H2.
What are the key properties of 4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one?
4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one has a molecular weight of 260.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(trifluoromethyl)phenyl]morpholin-3-one is sourced from PubChem (CID 53417810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).