1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol

C11H13F4NOS — CID 114187759

IUPAC1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
SMILESOC(CNCCSC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H13F4NOS/c12-9-4-2-1-3-8(9)10(17)7-16-5-6-18-11(13,14)15/h1-4,10,16-17H,5-7H2
InChIKeyAWFZTTKLXZRVQL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.70
Rot. Bonds6

About 1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol

1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol (PubChem CID 114187759) has the molecular formula C11H13F4NOS and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
PubChem CID114187759
Molecular FormulaC11H13F4NOS
Molecular Weight283.29 g/mol
Exact Mass283.07
IUPAC Name1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
SMILESOC(CNCCSC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H13F4NOS/c12-9-4-2-1-3-8(9)10(17)7-16-5-6-18-11(13,14)15/h1-4,10,16-17H,5-7H2
InChIKeyAWFZTTKLXZRVQL-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)ethanol
CID 106428715
1-(4-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 114187755
2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol
CID 114127447
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
1-[3-(trifluoromethyl)phenyl]-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 106429233
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
CID 62640651
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
1-(2-fluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905464
N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 61022469
2-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanoic acid
CID 106429398
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol (CID 114187759) is 1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol is OC(CNCCSC(F)(F)F)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol?
The InChIKey is AWFZTTKLXZRVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NOS/c12-9-4-2-1-3-8(9)10(17)7-16-5-6-18-11(13,14)15/h1-4,10,16-17H,5-7H2.
What are the key properties of 1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol?
1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol has a molecular weight of 283.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol is sourced from PubChem (CID 114187759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).