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

C8H15F3N2O — CID 107484794

IUPAC2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(CN)CN(CCO)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-7(4-12)5-13(2-3-14)6-8(9,10)11/h14H,1-6,12H2
InChIKeyGCXZPQKCIMHGHG-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.36
Rot. Bonds6

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

2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484794) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484794
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(CN)CN(CCO)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-7(4-12)5-13(2-3-14)6-8(9,10)11/h14H,1-6,12H2
InChIKeyGCXZPQKCIMHGHG-UHFFFAOYSA-N
XLogP0.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.36
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-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484794) is 2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol is C=C(CN)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is GCXZPQKCIMHGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-7(4-12)5-13(2-3-14)6-8(9,10)11/h14H,1-6,12H2.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 212.21 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).