2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol

C9H9F4NO3S — CID 55129525

IUPAC2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1cc(F)ccc1NCCO)C(F)(F)F
InChIInChI=1S/C9H9F4NO3S/c10-6-1-2-7(14-3-4-15)8(5-6)18(16,17)9(11,12)13/h1-2,5,14-15H,3-4H2
InChIKeyBGIAUNZIYWAJAR-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.52
Rot. Bonds4

About 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol

2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol (PubChem CID 55129525) has the molecular formula C9H9F4NO3S and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol
PubChem CID55129525
Molecular FormulaC9H9F4NO3S
Molecular Weight287.23 g/mol
Exact Mass287.02
IUPAC Name2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1cc(F)ccc1NCCO)C(F)(F)F
InChIInChI=1S/C9H9F4NO3S/c10-6-1-2-7(14-3-4-15)8(5-6)18(16,17)9(11,12)13/h1-2,5,14-15H,3-4H2
InChIKeyBGIAUNZIYWAJAR-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]propane-1,3-diamine
CID 62893183
3-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
CID 62868100
4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
CID 62866721
N-(2,2-dimethylbutyl)-4-fluoro-2-(trifluoromethylsulfonyl)aniline
CID 103462427
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide
CID 62867932
1-[4-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]piperazin-1-yl]ethanone
CID 133283161
4-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethylsulfonyl)aniline
CID 133283529
N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide
CID 133283504
4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 62892667
ethyl 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]acetate
CID 62892305
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-fluoro-2-(trifluoromethylsulfonyl)aniline
CID 133347454
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide
CID 133284643

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol (CID 55129525) is 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol is O=S(=O)(c1cc(F)ccc1NCCO)C(F)(F)F.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol?
The InChIKey is BGIAUNZIYWAJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO3S/c10-6-1-2-7(14-3-4-15)8(5-6)18(16,17)9(11,12)13/h1-2,5,14-15H,3-4H2.
What are the key properties of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol?
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol has a molecular weight of 287.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol is sourced from PubChem (CID 55129525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).