[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate

C10H16F3NO2 — CID 121308761

IUPAC[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)NCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7(2)8(15)16-6-9(3,4)14-5-10(11,12)13/h14H,1,5-6H2,2-4H3
InChIKeyZXEVTVXBRXCWII-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.04
Rot. Bonds5

About [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate

[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate (PubChem CID 121308761) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate
PubChem CID121308761
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)NCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7(2)8(15)16-6-9(3,4)14-5-10(11,12)13/h14H,1,5-6H2,2-4H3
InChIKeyZXEVTVXBRXCWII-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate 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-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate (CID 121308761) is [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(C)NCC(F)(F)F.
What is the InChIKey of [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate?
The InChIKey is ZXEVTVXBRXCWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7(2)8(15)16-6-9(3,4)14-5-10(11,12)13/h14H,1,5-6H2,2-4H3.
What are the key properties of [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate?
[2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate has a molecular weight of 239.24 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2,2,2-trifluoroethylamino)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 121308761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).