bis(2,2,3,3-tetrafluorobutyl) carbonate

C9H10F8O3 — CID 87327207

IUPACbis(2,2,3,3-tetrafluorobutyl) carbonate
SMILESCC(F)(F)C(F)(F)COC(=O)OCC(F)(F)C(C)(F)F
InChIInChI=1S/C9H10F8O3/c1-6(10,11)8(14,15)3-19-5(18)20-4-9(16,17)7(2,12)13/h3-4H2,1-2H3
InChIKeyLEEYOPNKXBUNQQ-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.72
Rot. Bonds6

About bis(2,2,3,3-tetrafluorobutyl) carbonate

bis(2,2,3,3-tetrafluorobutyl) carbonate (PubChem CID 87327207) has the molecular formula C9H10F8O3 and a molecular weight of 318.16 g/mol. Its IUPAC name is bis(2,2,3,3-tetrafluorobutyl) carbonate.

Molecular Properties

Compound Namebis(2,2,3,3-tetrafluorobutyl) carbonate
PubChem CID87327207
Molecular FormulaC9H10F8O3
Molecular Weight318.16 g/mol
Exact Mass318.05
IUPAC Namebis(2,2,3,3-tetrafluorobutyl) carbonate
SMILESCC(F)(F)C(F)(F)COC(=O)OCC(F)(F)C(C)(F)F
InChIInChI=1S/C9H10F8O3/c1-6(10,11)8(14,15)3-19-5(18)20-4-9(16,17)7(2,12)13/h3-4H2,1-2H3
InChIKeyLEEYOPNKXBUNQQ-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Bis(2,2,3,3-tetrafluoropropyl) Carbonate
CID 11659296
Bis(2,2,3,3,4,4,4-heptafluorobutyl) carbonate
CID 11495583
2,2,3,3,4,4,4-Heptafluorobutyl methyl carbonate
CID 22104774
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
1-(2,2,3,3,4,4,4-Heptafluorobutoxy)ethyl acetate
CID 131853147
Bis(2,2,3,3,4,4,5,5-octafluoropentyl)carbonate
CID 14090569
2,2,3,3,4,4,5,5-Octafluoropentyl ethyl carbonate
CID 14533042
Carbonic acid, 2,2-difluoroethyl ethyl ester
CID 15985039
Methyl 2,2,3,3-tetrafluoropropyl carbonate
CID 21263425
Propyl 2,2,2-trifluoroethyl carbonate
CID 85868871
Bis-(tetrafluoropropyl)-carbonate
CID 87308878
2,2,3,3-Tetrafluorobutyl carbonate
CID 53437010

Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3-tetrafluorobutyl) carbonate?
The IUPAC name of bis(2,2,3,3-tetrafluorobutyl) carbonate (CID 87327207) is bis(2,2,3,3-tetrafluorobutyl) carbonate.
What is the SMILES notation for bis(2,2,3,3-tetrafluorobutyl) carbonate?
The canonical SMILES for bis(2,2,3,3-tetrafluorobutyl) carbonate is CC(F)(F)C(F)(F)COC(=O)OCC(F)(F)C(C)(F)F.
What is the InChIKey of bis(2,2,3,3-tetrafluorobutyl) carbonate?
The InChIKey is LEEYOPNKXBUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O3/c1-6(10,11)8(14,15)3-19-5(18)20-4-9(16,17)7(2,12)13/h3-4H2,1-2H3.
What are the key properties of bis(2,2,3,3-tetrafluorobutyl) carbonate?
bis(2,2,3,3-tetrafluorobutyl) carbonate has a molecular weight of 318.16 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3-tetrafluorobutyl) carbonate is sourced from PubChem (CID 87327207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).