methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate

C10H18F3NO3 — CID 107480899

IUPACmethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-9(2,8(16)17-3)6-14(4-5-15)7-10(11,12)13/h15H,4-7H2,1-3H3
InChIKeySCZKXDXTVLSINA-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.04
Rot. Bonds6

About methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate

methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate (PubChem CID 107480899) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate
PubChem CID107480899
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Namemethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-9(2,8(16)17-3)6-14(4-5-15)7-10(11,12)13/h15H,4-7H2,1-3H3
InChIKeySCZKXDXTVLSINA-UHFFFAOYSA-N
XLogP1.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate 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 methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate (CID 107480899) is methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(CCO)CC(F)(F)F.
What is the InChIKey of methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate?
The InChIKey is SCZKXDXTVLSINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-9(2,8(16)17-3)6-14(4-5-15)7-10(11,12)13/h15H,4-7H2,1-3H3.
What are the key properties of methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate?
methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate has a molecular weight of 257.25 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 107480899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).