bis(3,4-difluorobut-2-en-2-yl) carbonate

C9H10F4O3 — CID 175145520

IUPACbis(3,4-difluorobut-2-en-2-yl) carbonate
SMILESCC(OC(=O)OC(C)=C(F)CF)=C(F)CF
InChIInChI=1S/C9H10F4O3/c1-5(7(12)3-10)15-9(14)16-6(2)8(13)4-11/h3-4H2,1-2H3
InChIKeyYZWQAKXWIMLOPJ-UHFFFAOYSA-N
MW242.17 g/mol
LogP3.48
Rot. Bonds4

About bis(3,4-difluorobut-2-en-2-yl) carbonate

bis(3,4-difluorobut-2-en-2-yl) carbonate (PubChem CID 175145520) has the molecular formula C9H10F4O3 and a molecular weight of 242.17 g/mol. Its IUPAC name is bis(3,4-difluorobut-2-en-2-yl) carbonate.

Molecular Properties

Compound Namebis(3,4-difluorobut-2-en-2-yl) carbonate
PubChem CID175145520
Molecular FormulaC9H10F4O3
Molecular Weight242.17 g/mol
Exact Mass242.06
IUPAC Namebis(3,4-difluorobut-2-en-2-yl) carbonate
SMILESCC(OC(=O)OC(C)=C(F)CF)=C(F)CF
InChIInChI=1S/C9H10F4O3/c1-5(7(12)3-10)15-9(14)16-6(2)8(13)4-11/h3-4H2,1-2H3
InChIKeyYZWQAKXWIMLOPJ-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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Related Compounds

butan-2-one;bis(fluorine-18(1-));1-(18F)fluoropropan-2-one;molecular iodine;propan(18F)oyl fluoride;triiodide
CID 160761756
1,1,2,3-tetrafluoroprop-1-ene
CID 11855995
1,2-difluoroethanol;fluoro acetate
CID 135335671
ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate
CID 132608979
ethoxycarbonyl 2-fluoroacetate;palladium
CID 174611584
acetyl fluoride;hydrochloride
CID 157205007
N-(fluoromethyl)acetamide
CID 90974509
1-fluoropropan-2-one;methane;tetrafluoromethane
CID 159658714
acetic acid;fluoromethanol
CID 71357238
bis[(E)-pent-2-en-2-yl] carbonate
CID 89437425
1,3-difluoroprop-1-enyl methyl carbonate
CID 89437374
propan-2-one;zirconium
CID 87087539

Frequently Asked Questions

What is the IUPAC name of bis(3,4-difluorobut-2-en-2-yl) carbonate?
The IUPAC name of bis(3,4-difluorobut-2-en-2-yl) carbonate (CID 175145520) is bis(3,4-difluorobut-2-en-2-yl) carbonate.
What is the SMILES notation for bis(3,4-difluorobut-2-en-2-yl) carbonate?
The canonical SMILES for bis(3,4-difluorobut-2-en-2-yl) carbonate is CC(OC(=O)OC(C)=C(F)CF)=C(F)CF.
What is the InChIKey of bis(3,4-difluorobut-2-en-2-yl) carbonate?
The InChIKey is YZWQAKXWIMLOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O3/c1-5(7(12)3-10)15-9(14)16-6(2)8(13)4-11/h3-4H2,1-2H3.
What are the key properties of bis(3,4-difluorobut-2-en-2-yl) carbonate?
bis(3,4-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(3,4-difluorobut-2-en-2-yl) carbonate is sourced from PubChem (CID 175145520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).