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

C10H9F11O — CID 19800866

IUPAC2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCO1
InChIInChI=1S/C10H9F11O/c11-6(12,5-3-1-2-4-22-5)7(13,14)8(15,16)9(17,18)10(19,20)21/h5H,1-4H2
InChIKeyIRWADQLZPDELMD-UHFFFAOYSA-N
MW354.16 g/mol
LogP4.66
Rot. Bonds4

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

2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane (PubChem CID 19800866) has the molecular formula C10H9F11O and a molecular weight of 354.16 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane
PubChem CID19800866
Molecular FormulaC10H9F11O
Molecular Weight354.16 g/mol
Exact Mass354.05
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCO1
InChIInChI=1S/C10H9F11O/c11-6(12,5-3-1-2-4-22-5)7(13,14)8(15,16)9(17,18)10(19,20)21/h5H,1-4H2
InChIKeyIRWADQLZPDELMD-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)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-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane (CID 19800866) is 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCO1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane?
The InChIKey is IRWADQLZPDELMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F11O/c11-6(12,5-3-1-2-4-22-5)7(13,14)8(15,16)9(17,18)10(19,20)21/h5H,1-4H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane?
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane has a molecular weight of 354.16 g/mol, XLogP of 4.66, 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)oxane is sourced from PubChem (CID 19800866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).