2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane

C6H5F7O2 — CID 86154818

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1OCCO1
InChIInChI=1S/C6H5F7O2/c7-4(8,3-14-1-2-15-3)5(9,10)6(11,12)13/h3H,1-2H2
InChIKeyMTUYJNFDNUPNFQ-UHFFFAOYSA-N
MW242.09 g/mol
LogP2.19
Rot. Bonds2

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane

2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane (PubChem CID 86154818) has the molecular formula C6H5F7O2 and a molecular weight of 242.09 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane
PubChem CID86154818
Molecular FormulaC6H5F7O2
Molecular Weight242.09 g/mol
Exact Mass242.02
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1OCCO1
InChIInChI=1S/C6H5F7O2/c7-4(8,3-14-1-2-15-3)5(9,10)6(11,12)13/h3H,1-2H2
InChIKeyMTUYJNFDNUPNFQ-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane (CID 86154818) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane is FC(F)(F)C(F)(F)C(F)(F)C1OCCO1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane?
The InChIKey is MTUYJNFDNUPNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O2/c7-4(8,3-14-1-2-15-3)5(9,10)6(11,12)13/h3H,1-2H2.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane has a molecular weight of 242.09 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane is sourced from PubChem (CID 86154818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).