2-(2,2,2-trifluoroethylsulfinyl)aniline

C8H8F3NOS — CID 61368049

IUPAC2-(2,2,2-trifluoroethylsulfinyl)aniline
SMILESNc1ccccc1S(=O)CC(F)(F)F
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)5-14(13)7-4-2-1-3-6(7)12/h1-4H,5,12H2
InChIKeyFKXAUXREHNLZQP-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.94
Rot. Bonds2

About 2-(2,2,2-trifluoroethylsulfinyl)aniline

2-(2,2,2-trifluoroethylsulfinyl)aniline (PubChem CID 61368049) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfinyl)aniline.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfinyl)aniline
PubChem CID61368049
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name2-(2,2,2-trifluoroethylsulfinyl)aniline
SMILESNc1ccccc1S(=O)CC(F)(F)F
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)5-14(13)7-4-2-1-3-6(7)12/h1-4H,5,12H2
InChIKeyFKXAUXREHNLZQP-UHFFFAOYSA-N
XLogP1.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.94
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-trifluoroethylsulfinyl)aniline?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfinyl)aniline (CID 61368049) is 2-(2,2,2-trifluoroethylsulfinyl)aniline.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfinyl)aniline?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfinyl)aniline is Nc1ccccc1S(=O)CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfinyl)aniline?
The InChIKey is FKXAUXREHNLZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c9-8(10,11)5-14(13)7-4-2-1-3-6(7)12/h1-4H,5,12H2.
What are the key properties of 2-(2,2,2-trifluoroethylsulfinyl)aniline?
2-(2,2,2-trifluoroethylsulfinyl)aniline has a molecular weight of 223.22 g/mol, XLogP of 1.94, 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-trifluoroethylsulfinyl)aniline is sourced from PubChem (CID 61368049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).