2,2,2-trifluoroethyl N,N-diethylcarbamate

C7H12F3NO2 — CID 10965508

IUPAC2,2,2-trifluoroethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-11(4-2)6(12)13-5-7(8,9)10/h3-5H2,1-2H3
InChIKeyBXNLMPJGXPPXST-UHFFFAOYSA-N
MW199.17 g/mol
LogP2.03
Rot. Bonds3

About 2,2,2-trifluoroethyl N,N-diethylcarbamate

2,2,2-trifluoroethyl N,N-diethylcarbamate (PubChem CID 10965508) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N,N-diethylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N,N-diethylcarbamate
PubChem CID10965508
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2,2-trifluoroethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-11(4-2)6(12)13-5-7(8,9)10/h3-5H2,1-2H3
InChIKeyBXNLMPJGXPPXST-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoroethyl N,N-diethylcarbamate 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,N-diethylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N,N-diethylcarbamate (CID 10965508) is 2,2,2-trifluoroethyl N,N-diethylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N,N-diethylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N,N-diethylcarbamate?
The InChIKey is BXNLMPJGXPPXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-3-11(4-2)6(12)13-5-7(8,9)10/h3-5H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N,N-diethylcarbamate?
2,2,2-trifluoroethyl N,N-diethylcarbamate has a molecular weight of 199.17 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N,N-diethylcarbamate is sourced from PubChem (CID 10965508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).