bis(1,3,3,3-tetrafluoropropyl) carbonate

C7H6F8O3 — CID 87308878

IUPACbis(1,3,3,3-tetrafluoropropyl) carbonate
SMILESO=C(OC(F)CC(F)(F)F)OC(F)CC(F)(F)F
InChIInChI=1S/C7H6F8O3/c8-3(1-6(10,11)12)17-5(16)18-4(9)2-7(13,14)15/h3-4H,1-2H2
InChIKeyWSHQNEUBYUWAAQ-UHFFFAOYSA-N
MW290.11 g/mol
LogP3.64
Rot. Bonds4

About bis(1,3,3,3-tetrafluoropropyl) carbonate

bis(1,3,3,3-tetrafluoropropyl) carbonate (PubChem CID 87308878) has the molecular formula C7H6F8O3 and a molecular weight of 290.11 g/mol. Its IUPAC name is bis(1,3,3,3-tetrafluoropropyl) carbonate.

Molecular Properties

Compound Namebis(1,3,3,3-tetrafluoropropyl) carbonate
PubChem CID87308878
Molecular FormulaC7H6F8O3
Molecular Weight290.11 g/mol
Exact Mass290.02
IUPAC Namebis(1,3,3,3-tetrafluoropropyl) carbonate
SMILESO=C(OC(F)CC(F)(F)F)OC(F)CC(F)(F)F
InChIInChI=1S/C7H6F8O3/c8-3(1-6(10,11)12)17-5(16)18-4(9)2-7(13,14)15/h3-4H,1-2H2
InChIKeyWSHQNEUBYUWAAQ-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis(1,3,3,3-tetrafluoropropyl) 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 bis(1,3,3,3-tetrafluoropropyl) carbonate?
The IUPAC name of bis(1,3,3,3-tetrafluoropropyl) carbonate (CID 87308878) is bis(1,3,3,3-tetrafluoropropyl) carbonate.
What is the SMILES notation for bis(1,3,3,3-tetrafluoropropyl) carbonate?
The canonical SMILES for bis(1,3,3,3-tetrafluoropropyl) carbonate is O=C(OC(F)CC(F)(F)F)OC(F)CC(F)(F)F.
What is the InChIKey of bis(1,3,3,3-tetrafluoropropyl) carbonate?
The InChIKey is WSHQNEUBYUWAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O3/c8-3(1-6(10,11)12)17-5(16)18-4(9)2-7(13,14)15/h3-4H,1-2H2.
What are the key properties of bis(1,3,3,3-tetrafluoropropyl) carbonate?
bis(1,3,3,3-tetrafluoropropyl) carbonate has a molecular weight of 290.11 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3,3,3-tetrafluoropropyl) carbonate is sourced from PubChem (CID 87308878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).