methyl 1,1,2,2,2-pentafluoroethyl carbonate

C4H3F5O3 — CID 23432495

IUPACmethyl 1,1,2,2,2-pentafluoroethyl carbonate
SMILESCOC(=O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F5O3/c1-11-2(10)12-4(8,9)3(5,6)7/h1H3
InChIKeyGZJQAHYLPINVDV-UHFFFAOYSA-N
MW194.05 g/mol
LogP1.92
Rot. Bonds1

About methyl 1,1,2,2,2-pentafluoroethyl carbonate

methyl 1,1,2,2,2-pentafluoroethyl carbonate (PubChem CID 23432495) has the molecular formula C4H3F5O3 and a molecular weight of 194.05 g/mol. Its IUPAC name is methyl 1,1,2,2,2-pentafluoroethyl carbonate.

Molecular Properties

Compound Namemethyl 1,1,2,2,2-pentafluoroethyl carbonate
PubChem CID23432495
Molecular FormulaC4H3F5O3
Molecular Weight194.05 g/mol
Exact Mass194.00
IUPAC Namemethyl 1,1,2,2,2-pentafluoroethyl carbonate
SMILESCOC(=O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F5O3/c1-11-2(10)12-4(8,9)3(5,6)7/h1H3
InChIKeyGZJQAHYLPINVDV-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 51.92
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 1,1,2,2,2-pentafluoroethyl carbonate?
The IUPAC name of methyl 1,1,2,2,2-pentafluoroethyl carbonate (CID 23432495) is methyl 1,1,2,2,2-pentafluoroethyl carbonate.
What is the SMILES notation for methyl 1,1,2,2,2-pentafluoroethyl carbonate?
The canonical SMILES for methyl 1,1,2,2,2-pentafluoroethyl carbonate is COC(=O)OC(F)(F)C(F)(F)F.
What is the InChIKey of methyl 1,1,2,2,2-pentafluoroethyl carbonate?
The InChIKey is GZJQAHYLPINVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O3/c1-11-2(10)12-4(8,9)3(5,6)7/h1H3.
What are the key properties of methyl 1,1,2,2,2-pentafluoroethyl carbonate?
methyl 1,1,2,2,2-pentafluoroethyl carbonate has a molecular weight of 194.05 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,1,2,2,2-pentafluoroethyl carbonate is sourced from PubChem (CID 23432495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).