2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol

C8H18F2N2O — CID 107484767

IUPAC2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol
SMILESCNCCCN(CCO)CC(F)F
InChIInChI=1S/C8H18F2N2O/c1-11-3-2-4-12(5-6-13)7-8(9)10/h8,11,13H,2-7H2,1H3
InChIKeyWGRWEYKFGDTHEH-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.16
Rot. Bonds8

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

2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol (PubChem CID 107484767) has the molecular formula C8H18F2N2O and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol
PubChem CID107484767
Molecular FormulaC8H18F2N2O
Molecular Weight196.24 g/mol
Exact Mass196.14
IUPAC Name2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol
SMILESCNCCCN(CCO)CC(F)F
InChIInChI=1S/C8H18F2N2O/c1-11-3-2-4-12(5-6-13)7-8(9)10/h8,11,13H,2-7H2,1H3
InChIKeyWGRWEYKFGDTHEH-UHFFFAOYSA-N
XLogP0.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
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-hydroxyethyl)-N-methyl-1,3-propanediamine
CID 11434970
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
2,2'-({3-[(2-Hydroxyethyl)amino]propyl}azanediyl)di(ethan-1-ol)
CID 54173789
1-Oxa-4,8-diazadecane
CID 88586065
2-[[3-(Dimethylamino)propyl]amino]ethanol
CID 104470
2-((3,3,3-Trifluoropropyl)amino)ethanol
CID 60684367
4-Amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 129296828
2-(2,2-Difluorobutylamino)ethanol
CID 129932437
2-[[3-[Bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol
CID 130272743
N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 171073943
2-[2-(3-Fluoropropylamino)ethyl-methylamino]ethanol
CID 172335234
2-[Propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol
CID 176601530

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol (CID 107484767) is 2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol is CNCCCN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol?
The InChIKey is WGRWEYKFGDTHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O/c1-11-3-2-4-12(5-6-13)7-8(9)10/h8,11,13H,2-7H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol?
2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol has a molecular weight of 196.24 g/mol, XLogP of 0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[3-(methylamino)propyl]amino]ethanol is sourced from PubChem (CID 107484767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).