2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate

C9H15F3N2O3 — CID 65173618

IUPAC2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate
SMILESCCCCN(CC(N)=O)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-2-3-4-14(5-7(13)15)8(16)17-6-9(10,11)12/h2-6H2,1H3,(H2,13,15)
InChIKeyMHADNSIPQJDCIU-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.27
Rot. Bonds6

About 2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate

2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate (PubChem CID 65173618) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate
PubChem CID65173618
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate
SMILESCCCCN(CC(N)=O)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-2-3-4-14(5-7(13)15)8(16)17-6-9(10,11)12/h2-6H2,1H3,(H2,13,15)
InChIKeyMHADNSIPQJDCIU-UHFFFAOYSA-N
XLogP1.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate 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-amino-2-oxoethyl)-N-butylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate (CID 65173618) is 2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate is CCCCN(CC(N)=O)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate?
The InChIKey is MHADNSIPQJDCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-2-3-4-14(5-7(13)15)8(16)17-6-9(10,11)12/h2-6H2,1H3,(H2,13,15).
What are the key properties of 2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate?
2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate has a molecular weight of 256.22 g/mol, XLogP of 1.27, 6 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-amino-2-oxoethyl)-N-butylcarbamate is sourced from PubChem (CID 65173618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).