2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane

C5HF9O — CID 10681972

IUPAC2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane
SMILESFC(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5HF9O/c6-1(7)2(8)3(9,10)4(11,12)5(13,14)15-2/h1H
InChIKeyBGQHSXSZJLRYIN-UHFFFAOYSA-N
MW248.04 g/mol
LogP2.81
Rot. Bonds1

About 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane

2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane (PubChem CID 10681972) has the molecular formula C5HF9O and a molecular weight of 248.04 g/mol. Its IUPAC name is 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane.

Molecular Properties

Compound Name2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane
PubChem CID10681972
Molecular FormulaC5HF9O
Molecular Weight248.04 g/mol
Exact Mass247.99
IUPAC Name2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane
SMILESFC(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5HF9O/c6-1(7)2(8)3(9,10)4(11,12)5(13,14)15-2/h1H
InChIKeyBGQHSXSZJLRYIN-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane?
The IUPAC name of 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane (CID 10681972) is 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane.
What is the SMILES notation for 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane?
The canonical SMILES for 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane is FC(F)C1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane?
The InChIKey is BGQHSXSZJLRYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O/c6-1(7)2(8)3(9,10)4(11,12)5(13,14)15-2/h1H.
What are the key properties of 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane?
2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane has a molecular weight of 248.04 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorooxolane is sourced from PubChem (CID 10681972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).