2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol

C8H17F2NO2S — CID 107494993

IUPAC2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol
SMILESOCCN(CCOCCS)CC(F)F
InChIInChI=1S/C8H17F2NO2S/c9-8(10)7-11(1-3-12)2-4-13-5-6-14/h8,12,14H,1-7H2
InChIKeyCLWSTUXSIQMTLK-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.49
Rot. Bonds9

About 2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol

2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol (PubChem CID 107494993) has the molecular formula C8H17F2NO2S and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol
PubChem CID107494993
Molecular FormulaC8H17F2NO2S
Molecular Weight229.29 g/mol
Exact Mass229.09
IUPAC Name2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol
SMILESOCCN(CCOCCS)CC(F)F
InChIInChI=1S/C8H17F2NO2S/c9-8(10)7-11(1-3-12)2-4-13-5-6-14/h8,12,14H,1-7H2
InChIKeyCLWSTUXSIQMTLK-UHFFFAOYSA-N
XLogP0.49
TPSA32.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol
CID 107484971
2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol
CID 107485527
2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
CID 107494982
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
N-(2-chloroethyl)-2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 107487831
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 107480835
2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol
CID 107485528
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107487933
2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol
CID 107494999
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139253107
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 107493128
2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol (CID 107494993) is 2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol is OCCN(CCOCCS)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol?
The InChIKey is CLWSTUXSIQMTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO2S/c9-8(10)7-11(1-3-12)2-4-13-5-6-14/h8,12,14H,1-7H2.
What are the key properties of 2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol has a molecular weight of 229.29 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol is sourced from PubChem (CID 107494993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).