2-(2,2,2-trifluoroethoxy)aniline

C8H8F3NO — CID 2777117

IUPAC2-(2,2,2-trifluoroethoxy)aniline
SMILESNc1ccccc1OCC(F)(F)F
InChIInChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4H,5,12H2
InChIKeyJIKIVGTUYSNUPQ-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.21
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)aniline

2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 2777117) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)aniline
PubChem CID2777117
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name2-(2,2,2-trifluoroethoxy)aniline
SMILESNc1ccccc1OCC(F)(F)F
InChIInChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4H,5,12H2
InChIKeyJIKIVGTUYSNUPQ-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)aniline (CID 2777117) is 2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)aniline is Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is JIKIVGTUYSNUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4H,5,12H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)aniline?
2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 191.15 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 2777117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).