2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane

C9H5F13O — CID 19898569

IUPAC2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane
SMILESFC1OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)C(F)C1F
InChIInChI=1S/C9H5F13O/c10-1-2(11)4(23-5(13)3(1)12)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-5H
InChIKeyGVDQTTXVORJGDD-UHFFFAOYSA-N
MW376.11 g/mol
LogP4.16
Rot. Bonds3

About 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane

2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane (PubChem CID 19898569) has the molecular formula C9H5F13O and a molecular weight of 376.11 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane
PubChem CID19898569
Molecular FormulaC9H5F13O
Molecular Weight376.11 g/mol
Exact Mass376.01
IUPAC Name2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane
SMILESFC1OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)C(F)C1F
InChIInChI=1S/C9H5F13O/c10-1-2(11)4(23-5(13)3(1)12)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-5H
InChIKeyGVDQTTXVORJGDD-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,4,5-tetrafluoro-6-(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 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane?
The IUPAC name of 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane (CID 19898569) is 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane is FC1OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)C(F)C1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane?
The InChIKey is GVDQTTXVORJGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13O/c10-1-2(11)4(23-5(13)3(1)12)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-5H.
What are the key properties of 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane?
2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane has a molecular weight of 376.11 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane is sourced from PubChem (CID 19898569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).