1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol

C15H13F4NO3S — CID 56808438

IUPAC1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1ccc(NCC(O)c2ccccc2F)cc1)C(F)(F)F
InChIInChI=1S/C15H13F4NO3S/c16-13-4-2-1-3-12(13)14(21)9-20-10-5-7-11(8-6-10)24(22,23)15(17,18)19/h1-8,14,20-21H,9H2
InChIKeyBJLUKBQHYZMYCC-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.26
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol

1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol (PubChem CID 56808438) has the molecular formula C15H13F4NO3S and a molecular weight of 363.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol
PubChem CID56808438
Molecular FormulaC15H13F4NO3S
Molecular Weight363.33 g/mol
Exact Mass363.06
IUPAC Name1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1ccc(NCC(O)c2ccccc2F)cc1)C(F)(F)F
InChIInChI=1S/C15H13F4NO3S/c16-13-4-2-1-3-12(13)14(21)9-20-10-5-7-11(8-6-10)24(22,23)15(17,18)19/h1-8,14,20-21H,9H2
InChIKeyBJLUKBQHYZMYCC-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
CID 60896520
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
3-[4-(trifluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66175657
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
CID 42958119
(1S)-1-(2-chlorophenyl)-2-(4-ethylsulfonylanilino)ethanol
CID 100664216
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 63333952
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859862
4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline
CID 63226683
4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-nitrobenzenesulfonamide
CID 55681041
5-[4-(trifluoromethylsulfonyl)anilino]pentanenitrile
CID 133299884
methyl 2-phenyl-3-[4-(trifluoromethylsulfonyl)anilino]propanoate
CID 71871507

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol (CID 56808438) is 1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol is O=S(=O)(c1ccc(NCC(O)c2ccccc2F)cc1)C(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol?
The InChIKey is BJLUKBQHYZMYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO3S/c16-13-4-2-1-3-12(13)14(21)9-20-10-5-7-11(8-6-10)24(22,23)15(17,18)19/h1-8,14,20-21H,9H2.
What are the key properties of 1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol?
1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol has a molecular weight of 363.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol is sourced from PubChem (CID 56808438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).