4-morpholin-4-yl-3-(trifluoromethyl)aniline

C11H13F3N2O — CID 2771329

IUPAC4-morpholin-4-yl-3-(trifluoromethyl)aniline
SMILESNc1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-7-8(15)1-2-10(9)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2
InChIKeyWRKWRSUBQVBAQB-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.12
Rot. Bonds1

About 4-morpholin-4-yl-3-(trifluoromethyl)aniline

4-morpholin-4-yl-3-(trifluoromethyl)aniline (PubChem CID 2771329) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-morpholin-4-yl-3-(trifluoromethyl)aniline
PubChem CID2771329
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name4-morpholin-4-yl-3-(trifluoromethyl)aniline
SMILESNc1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-7-8(15)1-2-10(9)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2
InChIKeyWRKWRSUBQVBAQB-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-morpholin-4-yl-3-(trifluoromethyl)aniline (CID 2771329) is 4-morpholin-4-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-morpholin-4-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-morpholin-4-yl-3-(trifluoromethyl)aniline is Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-morpholin-4-yl-3-(trifluoromethyl)aniline?
The InChIKey is WRKWRSUBQVBAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9-7-8(15)1-2-10(9)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2.
What are the key properties of 4-morpholin-4-yl-3-(trifluoromethyl)aniline?
4-morpholin-4-yl-3-(trifluoromethyl)aniline has a molecular weight of 246.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 2771329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).