4-ethoxy-2-(trifluoromethylsulfanyl)aniline

C9H10F3NOS — CID 79526639

IUPAC4-ethoxy-2-(trifluoromethylsulfanyl)aniline
SMILESCCOc1ccc(N)c(SC(F)(F)F)c1
InChIInChI=1S/C9H10F3NOS/c1-2-14-6-3-4-7(13)8(5-6)15-9(10,11)12/h3-5H,2,13H2,1H3
InChIKeyCUYBJSCBOSMOTM-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.28
Rot. Bonds3

About 4-ethoxy-2-(trifluoromethylsulfanyl)aniline

4-ethoxy-2-(trifluoromethylsulfanyl)aniline (PubChem CID 79526639) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-ethoxy-2-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-(trifluoromethylsulfanyl)aniline
PubChem CID79526639
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name4-ethoxy-2-(trifluoromethylsulfanyl)aniline
SMILESCCOc1ccc(N)c(SC(F)(F)F)c1
InChIInChI=1S/C9H10F3NOS/c1-2-14-6-3-4-7(13)8(5-6)15-9(10,11)12/h3-5H,2,13H2,1H3
InChIKeyCUYBJSCBOSMOTM-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.28
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

4-ethoxy-2-(2,2,2-trifluoroethoxymethylsulfanyl)aniline
CID 106705107
2-(2-cyclopropylethylsulfanyl)-4-ethoxyaniline
CID 79527674
2-(2-amino-5-ethoxyphenyl)sulfanyl-2-fluoroacetic acid
CID 79512385
1-[5-ethoxy-2-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 118802174
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517
4-ethoxy-2-(3-methylbut-2-enylsulfanyl)aniline
CID 79526787
2-cyclohexylsulfanyl-4-ethoxyaniline
CID 79526853
2-(2-butoxyethylsulfanyl)-4-ethoxyaniline
CID 79526708
4-ethoxy-2-(3-methylsulfonylpropylsulfanyl)aniline
CID 79526633
2-(3,5-dimethylcyclohexyl)sulfanyl-4-ethoxyaniline
CID 79527602
2-[(3,4-dimethylphenyl)methylsulfanyl]-4-ethoxyaniline
CID 79526573
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-ethoxyaniline
CID 79512737

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(trifluoromethylsulfanyl)aniline?
The IUPAC name of 4-ethoxy-2-(trifluoromethylsulfanyl)aniline (CID 79526639) is 4-ethoxy-2-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for 4-ethoxy-2-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for 4-ethoxy-2-(trifluoromethylsulfanyl)aniline is CCOc1ccc(N)c(SC(F)(F)F)c1.
What is the InChIKey of 4-ethoxy-2-(trifluoromethylsulfanyl)aniline?
The InChIKey is CUYBJSCBOSMOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-2-14-6-3-4-7(13)8(5-6)15-9(10,11)12/h3-5H,2,13H2,1H3.
What are the key properties of 4-ethoxy-2-(trifluoromethylsulfanyl)aniline?
4-ethoxy-2-(trifluoromethylsulfanyl)aniline has a molecular weight of 237.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 79526639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).