2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate

C9H14F3NO4 — CID 104705271

IUPAC2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
SMILESCOC1(CNC(=O)OCC(F)(F)F)CCOC1
InChIInChI=1S/C9H14F3NO4/c1-15-8(2-3-16-5-8)4-13-7(14)17-6-9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyYOQUEUSPDKZRQJ-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.08
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate (PubChem CID 104705271) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
PubChem CID104705271
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Name2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
SMILESCOC1(CNC(=O)OCC(F)(F)F)CCOC1
InChIInChI=1S/C9H14F3NO4/c1-15-8(2-3-16-5-8)4-13-7(14)17-6-9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyYOQUEUSPDKZRQJ-UHFFFAOYSA-N
XLogP1.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-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-[(3-methoxyoxolan-3-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate (CID 104705271) is 2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate is COC1(CNC(=O)OCC(F)(F)F)CCOC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
The InChIKey is YOQUEUSPDKZRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4/c1-15-8(2-3-16-5-8)4-13-7(14)17-6-9(10,11)12/h2-6H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate has a molecular weight of 257.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate is sourced from PubChem (CID 104705271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).