bis(4,4-difluorobut-1-en-2-yl) carbonate

C9H10F4O3 — CID 87132241

IUPACbis(4,4-difluorobut-1-en-2-yl) carbonate
SMILESC=C(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/h7-8H,1-4H2
InChIKeyKUUYNEVMQKKTOS-UHFFFAOYSA-N
MW242.17 g/mol
LogP3.48
Rot. Bonds6

About bis(4,4-difluorobut-1-en-2-yl) carbonate

bis(4,4-difluorobut-1-en-2-yl) carbonate (PubChem CID 87132241) has the molecular formula C9H10F4O3 and a molecular weight of 242.17 g/mol. Its IUPAC name is bis(4,4-difluorobut-1-en-2-yl) carbonate.

Molecular Properties

Compound Namebis(4,4-difluorobut-1-en-2-yl) carbonate
PubChem CID87132241
Molecular FormulaC9H10F4O3
Molecular Weight242.17 g/mol
Exact Mass242.06
IUPAC Namebis(4,4-difluorobut-1-en-2-yl) carbonate
SMILESC=C(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/h7-8H,1-4H2
InChIKeyKUUYNEVMQKKTOS-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

5,5-difluoro-2-methylpent-1-en-3-one
CID 20610393
2-ethyl-4-methoxycarbonyloxypent-4-enoic acid
CID 87402979
3,3-difluoropropanehydrazide
CID 162600392
(4-acetyloxy-1,1,1-trichloropent-4-en-2-yl) acetate
CID 13238527
1-chloro-4-(5-chloro-4-hydroxypent-1-en-2-yl)oxypent-4-en-2-ol
CID 162351420
2,2-difluoroethyl ethenyl carbonate
CID 87091206
5,5-difluoro-2-methylidenepentanoic acid
CID 23143942
3,3-difluoro-N-propan-2-ylpropanamide
CID 177328037
5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine
CID 22146191
bis(4,4-difluorobut-2-en-2-yl) carbonate
CID 175148140
2-fluoro-4-methylidenepentanedioic acid
CID 87321628
3-fluoro-2-(3-fluoroprop-1-en-2-yloxy)prop-1-ene
CID 23369119

Frequently Asked Questions

What is the IUPAC name of bis(4,4-difluorobut-1-en-2-yl) carbonate?
The IUPAC name of bis(4,4-difluorobut-1-en-2-yl) carbonate (CID 87132241) is bis(4,4-difluorobut-1-en-2-yl) carbonate.
What is the SMILES notation for bis(4,4-difluorobut-1-en-2-yl) carbonate?
The canonical SMILES for bis(4,4-difluorobut-1-en-2-yl) carbonate is C=C(CC(F)F)OC(=O)OC(=C)CC(F)F.
What is the InChIKey of bis(4,4-difluorobut-1-en-2-yl) carbonate?
The InChIKey is KUUYNEVMQKKTOS-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/h7-8H,1-4H2.
What are the key properties of bis(4,4-difluorobut-1-en-2-yl) carbonate?
bis(4,4-difluorobut-1-en-2-yl) carbonate has a molecular weight of 242.17 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,4-difluorobut-1-en-2-yl) carbonate is sourced from PubChem (CID 87132241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).