[2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate

C6H4F8O3 — CID 59927320

IUPAC[2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate
SMILESCOC(=O)OC(C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8O3/c1-16-3(15)17-4(2(7)8,5(9,10)11)6(12,13)14/h2H,1H3
InChIKeyADEWYLRKAPRVRC-UHFFFAOYSA-N
MW276.08 g/mol
LogP2.90
Rot. Bonds2

About [2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate

[2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate (PubChem CID 59927320) has the molecular formula C6H4F8O3 and a molecular weight of 276.08 g/mol. Its IUPAC name is [2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate.

Molecular Properties

Compound Name[2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate
PubChem CID59927320
Molecular FormulaC6H4F8O3
Molecular Weight276.08 g/mol
Exact Mass276.00
IUPAC Name[2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate
SMILESCOC(=O)OC(C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8O3/c1-16-3(15)17-4(2(7)8,5(9,10)11)6(12,13)14/h2H,1H3
InChIKeyADEWYLRKAPRVRC-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate 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-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate?
The IUPAC name of [2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate (CID 59927320) is [2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate.
What is the SMILES notation for [2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate?
The canonical SMILES for [2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate is COC(=O)OC(C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate?
The InChIKey is ADEWYLRKAPRVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O3/c1-16-3(15)17-4(2(7)8,5(9,10)11)6(12,13)14/h2H,1H3.
What are the key properties of [2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate?
[2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate has a molecular weight of 276.08 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate is sourced from PubChem (CID 59927320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).