5-methoxy-2-(2,2,2-trifluoroethoxy)aniline

C9H10F3NO2 — CID 16777766

IUPAC5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
SMILESCOc1ccc(OCC(F)(F)F)c(N)c1
InChIInChI=1S/C9H10F3NO2/c1-14-6-2-3-8(7(13)4-6)15-5-9(10,11)12/h2-4H,5,13H2,1H3
InChIKeyWYIZPHDLKDPPJX-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.22
Rot. Bonds3

About 5-methoxy-2-(2,2,2-trifluoroethoxy)aniline

5-methoxy-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 16777766) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-methoxy-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID16777766
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
SMILESCOc1ccc(OCC(F)(F)F)c(N)c1
InChIInChI=1S/C9H10F3NO2/c1-14-6-2-3-8(7(13)4-6)15-5-9(10,11)12/h2-4H,5,13H2,1H3
InChIKeyWYIZPHDLKDPPJX-UHFFFAOYSA-N
XLogP2.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane
CID 121001825
1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 166624623
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 63599497
4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79360631
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
5-methoxy-2-nonoxyaniline
CID 43128995
2-(2-amino-4-methoxyphenoxy)-N,N-dimethylacetamide
CID 16771171
2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline
CID 106436579
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
5-methoxy-2-(2-methylbutoxy)aniline
CID 62103254

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of 5-methoxy-2-(2,2,2-trifluoroethoxy)aniline (CID 16777766) is 5-methoxy-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for 5-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for 5-methoxy-2-(2,2,2-trifluoroethoxy)aniline is COc1ccc(OCC(F)(F)F)c(N)c1.
What is the InChIKey of 5-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is WYIZPHDLKDPPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-14-6-2-3-8(7(13)4-6)15-5-9(10,11)12/h2-4H,5,13H2,1H3.
What are the key properties of 5-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 221.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 16777766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).