2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane

C9H7F11O — CID 19783535

IUPAC2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCO1
InChIInChI=1S/C9H7F11O/c10-5(11,4-2-1-3-21-4)6(12,13)7(14,15)8(16,17)9(18,19)20/h4H,1-3H2
InChIKeyVHWFBNNZNFSLFH-UHFFFAOYSA-N
MW340.13 g/mol
LogP4.27
Rot. Bonds4

About 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane

2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane (PubChem CID 19783535) has the molecular formula C9H7F11O and a molecular weight of 340.13 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
PubChem CID19783535
Molecular FormulaC9H7F11O
Molecular Weight340.13 g/mol
Exact Mass340.03
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCO1
InChIInChI=1S/C9H7F11O/c10-5(11,4-2-1-3-21-4)6(12,13)7(14,15)8(16,17)9(18,19)20/h4H,1-3H2
InChIKeyVHWFBNNZNFSLFH-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.13
LogP ≤ 54.27
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-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane (CID 19783535) is 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCO1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane?
The InChIKey is VHWFBNNZNFSLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F11O/c10-5(11,4-2-1-3-21-4)6(12,13)7(14,15)8(16,17)9(18,19)20/h4H,1-3H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane?
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane has a molecular weight of 340.13 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane is sourced from PubChem (CID 19783535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).