2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol

C11H23F2NOS — CID 107494999

IUPAC2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol
SMILESCCC(CC)(CS)CN(CCO)CC(F)F
InChIInChI=1S/C11H23F2NOS/c1-3-11(4-2,9-16)8-14(5-6-15)7-10(12)13/h10,15-16H,3-9H2,1-2H3
InChIKeyYEBBWCPCAOVSLD-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.28
Rot. Bonds9

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

2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol (PubChem CID 107494999) has the molecular formula C11H23F2NOS and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol
PubChem CID107494999
Molecular FormulaC11H23F2NOS
Molecular Weight255.37 g/mol
Exact Mass255.15
IUPAC Name2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol
SMILESCCC(CC)(CS)CN(CCO)CC(F)F
InChIInChI=1S/C11H23F2NOS/c1-3-11(4-2,9-16)8-14(5-6-15)7-10(12)13/h10,15-16H,3-9H2,1-2H3
InChIKeyYEBBWCPCAOVSLD-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.28
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-sulfanylpropyl)amino]ethanol
CID 107494982
2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486587
2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal
CID 107486395
2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484736
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-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486683
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484946
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056371
2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol
CID 107485527
2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol
CID 107484772

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol (CID 107494999) is 2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol is CCC(CC)(CS)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol?
The InChIKey is YEBBWCPCAOVSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NOS/c1-3-11(4-2,9-16)8-14(5-6-15)7-10(12)13/h10,15-16H,3-9H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol has a molecular weight of 255.37 g/mol, XLogP of 2.28, 9 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-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol is sourced from PubChem (CID 107494999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).