methyl 2,2,3,3,3-pentafluoropropyl carbonate

C5H5F5O3 — CID 18183634

IUPACmethyl 2,2,3,3,3-pentafluoropropyl carbonate
SMILESCOC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O3/c1-12-3(11)13-2-4(6,7)5(8,9)10/h2H2,1H3
InChIKeySPIQNASBHBLPFV-UHFFFAOYSA-N
MW208.08 g/mol
LogP1.97
Rot. Bonds2

About methyl 2,2,3,3,3-pentafluoropropyl carbonate

methyl 2,2,3,3,3-pentafluoropropyl carbonate (PubChem CID 18183634) has the molecular formula C5H5F5O3 and a molecular weight of 208.08 g/mol. Its IUPAC name is methyl 2,2,3,3,3-pentafluoropropyl carbonate.

Molecular Properties

Compound Namemethyl 2,2,3,3,3-pentafluoropropyl carbonate
PubChem CID18183634
Molecular FormulaC5H5F5O3
Molecular Weight208.08 g/mol
Exact Mass208.02
IUPAC Namemethyl 2,2,3,3,3-pentafluoropropyl carbonate
SMILESCOC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O3/c1-12-3(11)13-2-4(6,7)5(8,9)10/h2H2,1H3
InChIKeySPIQNASBHBLPFV-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3,3,3-pentafluoropropyl carbonate?
The IUPAC name of methyl 2,2,3,3,3-pentafluoropropyl carbonate (CID 18183634) is methyl 2,2,3,3,3-pentafluoropropyl carbonate.
What is the SMILES notation for methyl 2,2,3,3,3-pentafluoropropyl carbonate?
The canonical SMILES for methyl 2,2,3,3,3-pentafluoropropyl carbonate is COC(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of methyl 2,2,3,3,3-pentafluoropropyl carbonate?
The InChIKey is SPIQNASBHBLPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O3/c1-12-3(11)13-2-4(6,7)5(8,9)10/h2H2,1H3.
What are the key properties of methyl 2,2,3,3,3-pentafluoropropyl carbonate?
methyl 2,2,3,3,3-pentafluoropropyl carbonate has a molecular weight of 208.08 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3,3,3-pentafluoropropyl carbonate is sourced from PubChem (CID 18183634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).