2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol

C9H17F3N2O — CID 107484801

IUPAC2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(CNC)CN(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(5-13-2)6-14(3-4-15)7-9(10,11)12/h13,15H,1,3-7H2,2H3
InChIKeyZDJQEQZJVGDAPO-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.62
Rot. Bonds7

About 2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484801) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484801
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(CNC)CN(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(5-13-2)6-14(3-4-15)7-9(10,11)12/h13,15H,1,3-7H2,2H3
InChIKeyZDJQEQZJVGDAPO-UHFFFAOYSA-N
XLogP0.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484801) is 2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol is C=C(CNC)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ZDJQEQZJVGDAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8(5-13-2)6-14(3-4-15)7-9(10,11)12/h13,15H,1,3-7H2,2H3.
What are the key properties of 2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 226.24 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).