bis(4,4-difluorobut-2-en-2-yl) carbonate

C9H10F4O3 — CID 175148140

IUPACbis(4,4-difluorobut-2-en-2-yl) carbonate
SMILESCC(=CC(F)F)OC(=O)OC(C)=CC(F)F
InChIInChI=1S/C9H10F4O3/c1-5(3-7(10)11)15-9(14)16-6(2)4-8(12)13/h3-4,7-8H,1-2H3
InChIKeyUKGWFFGQYDYLDQ-UHFFFAOYSA-N
MW242.17 g/mol
LogP3.48
Rot. Bonds4

About bis(4,4-difluorobut-2-en-2-yl) carbonate

bis(4,4-difluorobut-2-en-2-yl) carbonate (PubChem CID 175148140) has the molecular formula C9H10F4O3 and a molecular weight of 242.17 g/mol. Its IUPAC name is bis(4,4-difluorobut-2-en-2-yl) carbonate.

Molecular Properties

Compound Namebis(4,4-difluorobut-2-en-2-yl) carbonate
PubChem CID175148140
Molecular FormulaC9H10F4O3
Molecular Weight242.17 g/mol
Exact Mass242.06
IUPAC Namebis(4,4-difluorobut-2-en-2-yl) carbonate
SMILESCC(=CC(F)F)OC(=O)OC(C)=CC(F)F
InChIInChI=1S/C9H10F4O3/c1-5(3-7(10)11)15-9(14)16-6(2)4-8(12)13/h3-4,7-8H,1-2H3
InChIKeyUKGWFFGQYDYLDQ-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4,4-difluorobut-2-en-2-yl) carbonate?
The IUPAC name of bis(4,4-difluorobut-2-en-2-yl) carbonate (CID 175148140) is bis(4,4-difluorobut-2-en-2-yl) carbonate.
What is the SMILES notation for bis(4,4-difluorobut-2-en-2-yl) carbonate?
The canonical SMILES for bis(4,4-difluorobut-2-en-2-yl) carbonate is CC(=CC(F)F)OC(=O)OC(C)=CC(F)F.
What is the InChIKey of bis(4,4-difluorobut-2-en-2-yl) carbonate?
The InChIKey is UKGWFFGQYDYLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O3/c1-5(3-7(10)11)15-9(14)16-6(2)4-8(12)13/h3-4,7-8H,1-2H3.
What are the key properties of bis(4,4-difluorobut-2-en-2-yl) carbonate?
bis(4,4-difluorobut-2-en-2-yl) carbonate has a molecular weight of 242.17 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,4-difluorobut-2-en-2-yl) carbonate is sourced from PubChem (CID 175148140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).