2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol

C11H11F6NOS — CID 61047131

IUPAC2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESOCC(NCC(F)(F)F)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H11F6NOS/c12-10(13,14)6-18-9(5-19)7-1-3-8(4-2-7)20-11(15,16)17/h1-4,9,18-19H,5-6H2
InChIKeyOHNSIDALNHNUDI-UHFFFAOYSA-N
MW319.27 g/mol
LogP3.48
Rot. Bonds5

About 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol

2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol (PubChem CID 61047131) has the molecular formula C11H11F6NOS and a molecular weight of 319.27 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
PubChem CID61047131
Molecular FormulaC11H11F6NOS
Molecular Weight319.27 g/mol
Exact Mass319.05
IUPAC Name2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESOCC(NCC(F)(F)F)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H11F6NOS/c12-10(13,14)6-18-9(5-19)7-1-3-8(4-2-7)20-11(15,16)17/h1-4,9,18-19H,5-6H2
InChIKeyOHNSIDALNHNUDI-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-methyl-2-({(1S)-2,2,2-trifluoro-1-[4'-(methylthio)-1,1'-biphenyl-4-yl]ethyl}amino)pentan-1-ol
CID 11502160
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol
CID 122585267
(2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylpropan-1-ol
CID 16083866
(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoropent-4-en-2-yl]amino]ethanol
CID 134835817
[(2S,3S)-3-(4-methylsulfanylphenyl)aziridin-2-yl]methanol
CID 10910439
2-Methyl-2-({[4-(methylsulfanyl)phenyl]methyl}amino)propan-1-OL
CID 834595
(2R)-2-[[(1R)-1-Phenyl-2-hydroxyethyl]amino]-3,3,3-trifluoropropionitrile
CID 11368534
(2S)-2-[[(R)-1-Phenyl-2-hydroxyethyl]amino]-3,3,3-trifluoropropiononitrile
CID 16083858
beta-Amino-4'-[(difluoromethyl)thio][1,1'-biphenyl]-4-ethanol
CID 18786423
beta-Amino-4'-[(difluoromethyl)thio][1,1'-biphenyl]-4-ethanol hydrochloride salt
CID 18786426
(S)-3,3,3-Trifluoro-2-(((R)-2-hydroxy-1-phenylethyl)amino)propan-1-ol
CID 49793362
1-(3-Fluoro-4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanol
CID 54173310

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol (CID 61047131) is 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol is OCC(NCC(F)(F)F)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is OHNSIDALNHNUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NOS/c12-10(13,14)6-18-9(5-19)7-1-3-8(4-2-7)20-11(15,16)17/h1-4,9,18-19H,5-6H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 319.27 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 61047131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).