1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane

C9H11F9O2 — CID 174873004

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane
SMILESC1CCOC1.COC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9O.C4H8O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12;1-2-4-5-3-1/h1H3;1-4H2
InChIKeyZFKRHZMXTGKBLN-UHFFFAOYSA-N
MW322.17 g/mol
LogP3.86
Rot. Bonds3

About 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane

1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane (PubChem CID 174873004) has the molecular formula C9H11F9O2 and a molecular weight of 322.17 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane
PubChem CID174873004
Molecular FormulaC9H11F9O2
Molecular Weight322.17 g/mol
Exact Mass322.06
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane
SMILESC1CCOC1.COC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9O.C4H8O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12;1-2-4-5-3-1/h1H3;1-4H2
InChIKeyZFKRHZMXTGKBLN-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane 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 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane (CID 174873004) is 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane is C1CCOC1.COC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane?
The InChIKey is ZFKRHZMXTGKBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O.C4H8O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12;1-2-4-5-3-1/h1H3;1-4H2.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane?
1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane has a molecular weight of 322.17 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;oxolane is sourced from PubChem (CID 174873004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).