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

C9H19F2NOS — CID 107485382

IUPAC2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol
SMILESCCSCCCN(CCO)CC(F)F
InChIInChI=1S/C9H19F2NOS/c1-2-14-7-3-4-12(5-6-13)8-9(10)11/h9,13H,2-8H2,1H3
InChIKeyWWQHFPVDUMBPOO-UHFFFAOYSA-N
MW227.32 g/mol
LogP1.69
Rot. Bonds9

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

2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol (PubChem CID 107485382) has the molecular formula C9H19F2NOS and a molecular weight of 227.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol
PubChem CID107485382
Molecular FormulaC9H19F2NOS
Molecular Weight227.32 g/mol
Exact Mass227.12
IUPAC Name2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol
SMILESCCSCCCN(CCO)CC(F)F
InChIInChI=1S/C9H19F2NOS/c1-2-14-7-3-4-12(5-6-13)8-9(10)11/h9,13H,2-8H2,1H3
InChIKeyWWQHFPVDUMBPOO-UHFFFAOYSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol (CID 107485382) is 2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol is CCSCCCN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol?
The InChIKey is WWQHFPVDUMBPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NOS/c1-2-14-7-3-4-12(5-6-13)8-9(10)11/h9,13H,2-8H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol?
2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol has a molecular weight of 227.32 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(3-ethylsulfanylpropyl)amino]ethanol is sourced from PubChem (CID 107485382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).