2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol

C8H15F2NO — CID 107485262

IUPAC2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
SMILESC=C(C)CN(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO/c1-7(2)5-11(3-4-12)6-8(9)10/h8,12H,1,3-6H2,2H3
InChIKeyCIVYJAOKTZUFMP-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.12
Rot. Bonds6

About 2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol

2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol (PubChem CID 107485262) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
PubChem CID107485262
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
SMILESC=C(C)CN(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO/c1-7(2)5-11(3-4-12)6-8(9)10/h8,12H,1,3-6H2,2H3
InChIKeyCIVYJAOKTZUFMP-UHFFFAOYSA-N
XLogP1.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 107485089
2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
CID 107494982
N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485154
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814
N-cyclopropyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 107484970
2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol
CID 107484772
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107485259
2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486683
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
N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485470
2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol
CID 107494999

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol (CID 107485262) is 2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol is C=C(C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol?
The InChIKey is CIVYJAOKTZUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-7(2)5-11(3-4-12)6-8(9)10/h8,12H,1,3-6H2,2H3.
What are the key properties of 2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol?
2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol has a molecular weight of 179.21 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol is sourced from PubChem (CID 107485262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).