bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate

C11H12F8O4 — CID 91726183

IUPACbis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate
SMILESCC(C)(C(=O)OCC(F)(F)C(F)F)C(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C11H12F8O4/c1-9(2,7(20)22-3-10(16,17)5(12)13)8(21)23-4-11(18,19)6(14)15/h5-6H,3-4H2,1-2H3
InChIKeyNGSRLBYFZNOJAN-UHFFFAOYSA-N
MW360.20 g/mol
LogP2.90
Rot. Bonds8

About bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate

bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate (PubChem CID 91726183) has the molecular formula C11H12F8O4 and a molecular weight of 360.20 g/mol. Its IUPAC name is bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate.

Molecular Properties

Compound Namebis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate
PubChem CID91726183
Molecular FormulaC11H12F8O4
Molecular Weight360.20 g/mol
Exact Mass360.06
IUPAC Namebis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate
SMILESCC(C)(C(=O)OCC(F)(F)C(F)F)C(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C11H12F8O4/c1-9(2,7(20)22-3-10(16,17)5(12)13)8(21)23-4-11(18,19)6(14)15/h5-6H,3-4H2,1-2H3
InChIKeyNGSRLBYFZNOJAN-UHFFFAOYSA-N
XLogP2.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate 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(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate?
The IUPAC name of bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate (CID 91726183) is bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate.
What is the SMILES notation for bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate?
The canonical SMILES for bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate is CC(C)(C(=O)OCC(F)(F)C(F)F)C(=O)OCC(F)(F)C(F)F.
What is the InChIKey of bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate?
The InChIKey is NGSRLBYFZNOJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F8O4/c1-9(2,7(20)22-3-10(16,17)5(12)13)8(21)23-4-11(18,19)6(14)15/h5-6H,3-4H2,1-2H3.
What are the key properties of bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate?
bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate has a molecular weight of 360.20 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3-tetrafluoropropyl) 2,2-dimethylpropanedioate is sourced from PubChem (CID 91726183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).