methyl 2,2,3,3-tetrafluoropropyl carbonate

C5H6F4O3 — CID 21263425

IUPACmethyl 2,2,3,3-tetrafluoropropyl carbonate
SMILESCOC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C5H6F4O3/c1-11-4(10)12-2-5(8,9)3(6)7/h3H,2H2,1H3
InChIKeyLDTVHHNIXCBROE-UHFFFAOYSA-N
MW190.09 g/mol
LogP1.67
Rot. Bonds3

About methyl 2,2,3,3-tetrafluoropropyl carbonate

methyl 2,2,3,3-tetrafluoropropyl carbonate (PubChem CID 21263425) has the molecular formula C5H6F4O3 and a molecular weight of 190.09 g/mol. Its IUPAC name is methyl 2,2,3,3-tetrafluoropropyl carbonate.

Molecular Properties

Compound Namemethyl 2,2,3,3-tetrafluoropropyl carbonate
PubChem CID21263425
Molecular FormulaC5H6F4O3
Molecular Weight190.09 g/mol
Exact Mass190.03
IUPAC Namemethyl 2,2,3,3-tetrafluoropropyl carbonate
SMILESCOC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C5H6F4O3/c1-11-4(10)12-2-5(8,9)3(6)7/h3H,2H2,1H3
InChIKeyLDTVHHNIXCBROE-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 51.67
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-tetrafluoropropyl carbonate?
The IUPAC name of methyl 2,2,3,3-tetrafluoropropyl carbonate (CID 21263425) is methyl 2,2,3,3-tetrafluoropropyl carbonate.
What is the SMILES notation for methyl 2,2,3,3-tetrafluoropropyl carbonate?
The canonical SMILES for methyl 2,2,3,3-tetrafluoropropyl carbonate is COC(=O)OCC(F)(F)C(F)F.
What is the InChIKey of methyl 2,2,3,3-tetrafluoropropyl carbonate?
The InChIKey is LDTVHHNIXCBROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O3/c1-11-4(10)12-2-5(8,9)3(6)7/h3H,2H2,1H3.
What are the key properties of methyl 2,2,3,3-tetrafluoropropyl carbonate?
methyl 2,2,3,3-tetrafluoropropyl carbonate has a molecular weight of 190.09 g/mol, XLogP of 1.67, 3 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-tetrafluoropropyl carbonate is sourced from PubChem (CID 21263425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).