2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline

C11H14F3NO2 — CID 113393427

IUPAC2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline
SMILESCC(C)Oc1cccc(OCC(F)(F)F)c1N
InChIInChI=1S/C11H14F3NO2/c1-7(2)17-9-5-3-4-8(10(9)15)16-6-11(12,13)14/h3-5,7H,6,15H2,1-2H3
InChIKeyFADBHCPZSWLFBX-UHFFFAOYSA-N
MW249.23 g/mol
LogP3.00
Rot. Bonds4

About 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline

2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline (PubChem CID 113393427) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline
PubChem CID113393427
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline
SMILESCC(C)Oc1cccc(OCC(F)(F)F)c1N
InChIInChI=1S/C11H14F3NO2/c1-7(2)17-9-5-3-4-8(10(9)15)16-6-11(12,13)14/h3-5,7H,6,15H2,1-2H3
InChIKeyFADBHCPZSWLFBX-UHFFFAOYSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 53.00
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 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline (CID 113393427) is 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline is CC(C)Oc1cccc(OCC(F)(F)F)c1N.
What is the InChIKey of 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is FADBHCPZSWLFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7(2)17-9-5-3-4-8(10(9)15)16-6-11(12,13)14/h3-5,7H,6,15H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline?
2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 249.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 113393427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).