2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate

C8H10F3NO3 — CID 134421214

IUPAC2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate
SMILESCC(=O)C1(NC(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO3/c1-5(13)7(2-3-7)12-6(14)15-4-8(9,10)11/h2-4H2,1H3,(H,12,14)
InChIKeyQDZZUMZPGATIRP-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.40
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate

2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate (PubChem CID 134421214) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate
PubChem CID134421214
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate
SMILESCC(=O)C1(NC(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO3/c1-5(13)7(2-3-7)12-6(14)15-4-8(9,10)11/h2-4H2,1H3,(H,12,14)
InChIKeyQDZZUMZPGATIRP-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate 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-(1-acetylcyclopropyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate (CID 134421214) is 2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate is CC(=O)C1(NC(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate?
The InChIKey is QDZZUMZPGATIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c1-5(13)7(2-3-7)12-6(14)15-4-8(9,10)11/h2-4H2,1H3,(H,12,14).
What are the key properties of 2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate?
2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate has a molecular weight of 225.17 g/mol, XLogP of 1.40, 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-(1-acetylcyclopropyl)carbamate is sourced from PubChem (CID 134421214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).