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

C8H14F3NO — CID 103856784

IUPAC2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2)5-12(3-4-13)6-8(9,10)11/h13H,1,3-6H2,2H3
InChIKeyMDYMQAKQJLQQMP-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.42
Rot. Bonds5

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

2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103856784) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103856784
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2)5-12(3-4-13)6-8(9,10)11/h13H,1,3-6H2,2H3
InChIKeyMDYMQAKQJLQQMP-UHFFFAOYSA-N
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol (CID 103856784) is 2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol is C=C(C)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is MDYMQAKQJLQQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2)5-12(3-4-13)6-8(9,10)11/h13H,1,3-6H2,2H3.
What are the key properties of 2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 197.20 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103856784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).