2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane

C9H9F9O — CID 19800869

IUPAC2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCO1
InChIInChI=1S/C9H9F9O/c10-6(11,5-3-1-2-4-19-5)7(12,13)8(14,15)9(16,17)18/h5H,1-4H2
InChIKeyANHDUCMPLZYONE-UHFFFAOYSA-N
MW304.15 g/mol
LogP4.02
Rot. Bonds3

About 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane

2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane (PubChem CID 19800869) has the molecular formula C9H9F9O and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane
PubChem CID19800869
Molecular FormulaC9H9F9O
Molecular Weight304.15 g/mol
Exact Mass304.05
IUPAC Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCO1
InChIInChI=1S/C9H9F9O/c10-6(11,5-3-1-2-4-19-5)7(12,13)8(14,15)9(16,17)18/h5H,1-4H2
InChIKeyANHDUCMPLZYONE-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane (CID 19800869) is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCO1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane?
The InChIKey is ANHDUCMPLZYONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O/c10-6(11,5-3-1-2-4-19-5)7(12,13)8(14,15)9(16,17)18/h5H,1-4H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane?
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane has a molecular weight of 304.15 g/mol, XLogP of 4.02, 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)oxane is sourced from PubChem (CID 19800869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).