2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate

C8H12F3NO3 — CID 51892951

IUPAC2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
SMILESO=C(NC[C@@H]1CCCO1)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)5-15-7(13)12-4-6-2-1-3-14-6/h6H,1-5H2,(H,12,13)/t6-/m0/s1
InChIKeyUDQZHVIQWBZFCA-LURJTMIESA-N
MW227.18 g/mol
LogP1.45
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate

2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate (PubChem CID 51892951) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
PubChem CID51892951
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
SMILESO=C(NC[C@@H]1CCCO1)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)5-15-7(13)12-4-6-2-1-3-14-6/h6H,1-5H2,(H,12,13)/t6-/m0/s1
InChIKeyUDQZHVIQWBZFCA-LURJTMIESA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]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-[[(2S)-oxolan-2-yl]methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate (CID 51892951) is 2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate is O=C(NC[C@@H]1CCCO1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate?
The InChIKey is UDQZHVIQWBZFCA-LURJTMIESA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)5-15-7(13)12-4-6-2-1-3-14-6/h6H,1-5H2,(H,12,13)/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate?
2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate has a molecular weight of 227.18 g/mol, XLogP of 1.45, 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-[[(2S)-oxolan-2-yl]methyl]carbamate is sourced from PubChem (CID 51892951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).