2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate

C6H10F3NO3 — CID 65169047

IUPAC2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-10(2-3-11)5(12)13-4-6(7,8)9/h11H,2-4H2,1H3
InChIKeyXJGXWZQUULVSGS-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.61
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate

2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate (PubChem CID 65169047) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate
PubChem CID65169047
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-10(2-3-11)5(12)13-4-6(7,8)9/h11H,2-4H2,1H3
InChIKeyXJGXWZQUULVSGS-UHFFFAOYSA-N
XLogP0.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate 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 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate (CID 65169047) is 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate is CN(CCO)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The InChIKey is XJGXWZQUULVSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-10(2-3-11)5(12)13-4-6(7,8)9/h11H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate?
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate has a molecular weight of 201.14 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate is sourced from PubChem (CID 65169047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).