methyl 2,2,3,3-tetrafluoropentyl carbonate

C7H10F4O3 — CID 59431017

IUPACmethyl 2,2,3,3-tetrafluoropentyl carbonate
SMILESCCC(F)(F)C(F)(F)COC(=O)OC
InChIInChI=1S/C7H10F4O3/c1-3-6(8,9)7(10,11)4-14-5(12)13-2/h3-4H2,1-2H3
InChIKeyRORPIKPXGGXZFH-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.45
Rot. Bonds4

About methyl 2,2,3,3-tetrafluoropentyl carbonate

methyl 2,2,3,3-tetrafluoropentyl carbonate (PubChem CID 59431017) has the molecular formula C7H10F4O3 and a molecular weight of 218.15 g/mol. Its IUPAC name is methyl 2,2,3,3-tetrafluoropentyl carbonate.

Molecular Properties

Compound Namemethyl 2,2,3,3-tetrafluoropentyl carbonate
PubChem CID59431017
Molecular FormulaC7H10F4O3
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Namemethyl 2,2,3,3-tetrafluoropentyl carbonate
SMILESCCC(F)(F)C(F)(F)COC(=O)OC
InChIInChI=1S/C7H10F4O3/c1-3-6(8,9)7(10,11)4-14-5(12)13-2/h3-4H2,1-2H3
InChIKeyRORPIKPXGGXZFH-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.45
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-tetrafluoropentyl carbonate?
The IUPAC name of methyl 2,2,3,3-tetrafluoropentyl carbonate (CID 59431017) is methyl 2,2,3,3-tetrafluoropentyl carbonate.
What is the SMILES notation for methyl 2,2,3,3-tetrafluoropentyl carbonate?
The canonical SMILES for methyl 2,2,3,3-tetrafluoropentyl carbonate is CCC(F)(F)C(F)(F)COC(=O)OC.
What is the InChIKey of methyl 2,2,3,3-tetrafluoropentyl carbonate?
The InChIKey is RORPIKPXGGXZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O3/c1-3-6(8,9)7(10,11)4-14-5(12)13-2/h3-4H2,1-2H3.
What are the key properties of methyl 2,2,3,3-tetrafluoropentyl carbonate?
methyl 2,2,3,3-tetrafluoropentyl carbonate has a molecular weight of 218.15 g/mol, XLogP of 2.45, 4 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-tetrafluoropentyl carbonate is sourced from PubChem (CID 59431017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).