2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran

C8H5F9O — CID 88758199

IUPAC2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1C=CCO1
InChIInChI=1S/C8H5F9O/c9-5(10,4-2-1-3-18-4)6(11,12)7(13,14)8(15,16)17/h1-2,4H,3H2
InChIKeyACCUDQXQRIMOSK-UHFFFAOYSA-N
MW288.11 g/mol
LogP3.41
Rot. Bonds3

About 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran

2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran (PubChem CID 88758199) has the molecular formula C8H5F9O and a molecular weight of 288.11 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran
PubChem CID88758199
Molecular FormulaC8H5F9O
Molecular Weight288.11 g/mol
Exact Mass288.02
IUPAC Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1C=CCO1
InChIInChI=1S/C8H5F9O/c9-5(10,4-2-1-3-18-4)6(11,12)7(13,14)8(15,16)17/h1-2,4H,3H2
InChIKeyACCUDQXQRIMOSK-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran (CID 88758199) is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1C=CCO1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran?
The InChIKey is ACCUDQXQRIMOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9O/c9-5(10,4-2-1-3-18-4)6(11,12)7(13,14)8(15,16)17/h1-2,4H,3H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran?
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran has a molecular weight of 288.11 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,5-dihydrofuran is sourced from PubChem (CID 88758199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).