2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol

C8H17F2NOS — CID 107494982

IUPAC2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
SMILESCC(CS)CN(CCO)CC(F)F
InChIInChI=1S/C8H17F2NOS/c1-7(6-13)4-11(2-3-12)5-8(9)10/h7-8,12-13H,2-6H2,1H3
InChIKeyUGHIKACJEVTVFS-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.11
Rot. Bonds7

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

2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol (PubChem CID 107494982) has the molecular formula C8H17F2NOS and a molecular weight of 213.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
PubChem CID107494982
Molecular FormulaC8H17F2NOS
Molecular Weight213.29 g/mol
Exact Mass213.10
IUPAC Name2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
SMILESCC(CS)CN(CCO)CC(F)F
InChIInChI=1S/C8H17F2NOS/c1-7(6-13)4-11(2-3-12)5-8(9)10/h7-8,12-13H,2-6H2,1H3
InChIKeyUGHIKACJEVTVFS-UHFFFAOYSA-N
XLogP1.11
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol
CID 107484772
2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol
CID 107494999
2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol
CID 107494993
2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
CID 107485262
2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol
CID 107484971
2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486587
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
CID 107485375
N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 107494500
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486683

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol (CID 107494982) is 2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol is CC(CS)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol?
The InChIKey is UGHIKACJEVTVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NOS/c1-7(6-13)4-11(2-3-12)5-8(9)10/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol?
2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol has a molecular weight of 213.29 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol is sourced from PubChem (CID 107494982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).