2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol

C9H18F3NOS — CID 103865021

IUPAC2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCSCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NOS/c1-2-15-7-3-4-13(5-6-14)8-9(10,11)12/h14H,2-8H2,1H3
InChIKeyNLOWWTPCXZENGP-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.99
Rot. Bonds8

About 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol

2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103865021) has the molecular formula C9H18F3NOS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103865021
Molecular FormulaC9H18F3NOS
Molecular Weight245.31 g/mol
Exact Mass245.11
IUPAC Name2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCSCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NOS/c1-2-15-7-3-4-13(5-6-14)8-9(10,11)12/h14H,2-8H2,1H3
InChIKeyNLOWWTPCXZENGP-UHFFFAOYSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]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

n:2 Fluorotelomer thio hydroxy ammonium, n=2
CID 101479853
2-(Dimethylamino)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfanyl)ethanol
CID 139594496
[1-Hydroxy-2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfanylethyl]-trimethylazanium
CID 57709791
[2-Hydroxy-3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfanylpropyl]-trimethylazanium
CID 57709846
2,2,2-Trifluoro-1-[methyl(2-propylsulfanylethyl)amino]ethanol
CID 155158017
[2-Hydroxy-3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfanylpropyl]-trimethylazanium chloride
CID 157095726
[4-Propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol
CID 176871809
1-(Diethylamino)-3-pentylsulfanylpropan-2-ol
CID 3040151
1-(Dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol
CID 3040153
1,1,1-Trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol
CID 63902240
1,1,1-Trifluoro-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 63902455
3-(2,6-Dimethylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
CID 64117222

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol (CID 103865021) is 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol is CCSCCCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is NLOWWTPCXZENGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NOS/c1-2-15-7-3-4-13(5-6-14)8-9(10,11)12/h14H,2-8H2,1H3.
What are the key properties of 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 245.31 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfanylpropyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103865021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).