4-ethoxy-3-(trifluoromethyl)aniline

C9H10F3NO — CID 6485751

IUPAC4-ethoxy-3-(trifluoromethyl)aniline
SMILESCCOc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-2-14-8-4-3-6(13)5-7(8)9(10,11)12/h3-5H,2,13H2,1H3
InChIKeyYAIGBJRRAPBODW-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.69
Rot. Bonds2

About 4-ethoxy-3-(trifluoromethyl)aniline

4-ethoxy-3-(trifluoromethyl)aniline (PubChem CID 6485751) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-ethoxy-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-3-(trifluoromethyl)aniline
PubChem CID6485751
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name4-ethoxy-3-(trifluoromethyl)aniline
SMILESCCOc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-2-14-8-4-3-6(13)5-7(8)9(10,11)12/h3-5H,2,13H2,1H3
InChIKeyYAIGBJRRAPBODW-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.69
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 4-ethoxy-3-(trifluoromethyl)aniline?
The IUPAC name of 4-ethoxy-3-(trifluoromethyl)aniline (CID 6485751) is 4-ethoxy-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-ethoxy-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-ethoxy-3-(trifluoromethyl)aniline is CCOc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 4-ethoxy-3-(trifluoromethyl)aniline?
The InChIKey is YAIGBJRRAPBODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-2-14-8-4-3-6(13)5-7(8)9(10,11)12/h3-5H,2,13H2,1H3.
What are the key properties of 4-ethoxy-3-(trifluoromethyl)aniline?
4-ethoxy-3-(trifluoromethyl)aniline has a molecular weight of 205.18 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(trifluoromethyl)aniline is sourced from PubChem (CID 6485751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).