4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline

C9H7F6NO2 — CID 15671378

IUPAC4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline
SMILESNc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1
InChIInChI=1S/C9H7F6NO2/c10-7(18-9(13,14)15)8(11,12)17-6-3-1-5(16)2-4-6/h1-4,7H,16H2
InChIKeyWTRMWFQAGCMZEM-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.07
Rot. Bonds4

About 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline

4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline (PubChem CID 15671378) has the molecular formula C9H7F6NO2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline.

Molecular Properties

Compound Name4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline
PubChem CID15671378
Molecular FormulaC9H7F6NO2
Molecular Weight275.15 g/mol
Exact Mass275.04
IUPAC Name4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline
SMILESNc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1
InChIInChI=1S/C9H7F6NO2/c10-7(18-9(13,14)15)8(11,12)17-6-3-1-5(16)2-4-6/h1-4,7H,16H2
InChIKeyWTRMWFQAGCMZEM-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene
CID 57288381
4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 122360982
4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]aniline
CID 71414939
2-bromo-1-[4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]ethanone
CID 122360984
1,1-dichloro-3-[4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]urea
CID 150748942
2,2-dimethyl-5-[[4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168598585
2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline
CID 14823054
4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 59838870
4-(1,2,2,3,3,3-hexafluoropropoxy)aniline
CID 174979795
4-[2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 72575162
formohydrazide;4-(trifluoromethoxy)aniline
CID 175142236
4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde
CID 14618892

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline?
The IUPAC name of 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline (CID 15671378) is 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline.
What is the SMILES notation for 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline?
The canonical SMILES for 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline is Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1.
What is the InChIKey of 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline?
The InChIKey is WTRMWFQAGCMZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO2/c10-7(18-9(13,14)15)8(11,12)17-6-3-1-5(16)2-4-6/h1-4,7H,16H2.
What are the key properties of 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline?
4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline has a molecular weight of 275.15 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline is sourced from PubChem (CID 15671378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).