2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate

C6H4F8O3 — CID 22104777

IUPAC2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate
SMILESO=C(OCC(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F8O3/c7-4(8,6(12,13)14)1-16-3(15)17-2-5(9,10)11/h1-2H2
InChIKeyLOLOLMAJDSWXQZ-UHFFFAOYSA-N
MW276.08 g/mol
LogP2.90
Rot. Bonds3

About 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate

2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate (PubChem CID 22104777) has the molecular formula C6H4F8O3 and a molecular weight of 276.08 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate
PubChem CID22104777
Molecular FormulaC6H4F8O3
Molecular Weight276.08 g/mol
Exact Mass276.00
IUPAC Name2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate
SMILESO=C(OCC(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F8O3/c7-4(8,6(12,13)14)1-16-3(15)17-2-5(9,10)11/h1-2H2
InChIKeyLOLOLMAJDSWXQZ-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 52.90
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

Methyl 2,2,2-trifluoroethyl carbonate
CID 17761042
Ethyl 2,2,2-trifluoroethyl carbonate
CID 21263423
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
Bis(2,2,2-trifluoroethyl) Carbonate
CID 11447463
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
Bis(2,2,3,3,4,4,5,5-octafluoropentyl)carbonate
CID 14090569
Bis(2,2-difluoroethyl) carbonate
CID 15985041
Di-(1,1,3-trihydrotetrafluoropropoxy)methane
CID 12839497
Methyl 2,2,3,3-tetrafluoropropyl carbonate
CID 21263425
Propyl 2,2,2-trifluoroethyl carbonate
CID 85868871

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate (CID 22104777) is 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate is O=C(OCC(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate?
The InChIKey is LOLOLMAJDSWXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O3/c7-4(8,6(12,13)14)1-16-3(15)17-2-5(9,10)11/h1-2H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate?
2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate has a molecular weight of 276.08 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl carbonate is sourced from PubChem (CID 22104777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).