oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane

C22H8AlF15O — CID 134906062

IUPACoxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane
SMILESC1CCOC1.Fc1c(F)c(F)c([Al](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/3C6F5.C4H8O.Al/c3*7-2-1-3(8)5(10)6(11)4(2)9;1-2-4-5-3-1;/h;;;1-4H2;
InChIKeyUSSLRGZWNFRYGP-UHFFFAOYSA-N
MW600.26 g/mol
LogP5.09
Rot. Bonds3

About oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane

oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane (PubChem CID 134906062) has the molecular formula C22H8AlF15O and a molecular weight of 600.26 g/mol. Its IUPAC name is oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane.

Molecular Properties

Compound Nameoxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane
PubChem CID134906062
Molecular FormulaC22H8AlF15O
Molecular Weight600.26 g/mol
Exact Mass600.02
IUPAC Nameoxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane
SMILESC1CCOC1.Fc1c(F)c(F)c([Al](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/3C6F5.C4H8O.Al/c3*7-2-1-3(8)5(10)6(11)4(2)9;1-2-4-5-3-1;/h;;;1-4H2;
InChIKeyUSSLRGZWNFRYGP-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.26
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane 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 oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane?
The IUPAC name of oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane (CID 134906062) is oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane.
What is the SMILES notation for oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane?
The canonical SMILES for oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane is C1CCOC1.Fc1c(F)c(F)c([Al](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane?
The InChIKey is USSLRGZWNFRYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6F5.C4H8O.Al/c3*7-2-1-3(8)5(10)6(11)4(2)9;1-2-4-5-3-1;/h;;;1-4H2;.
What are the key properties of oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane?
oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane has a molecular weight of 600.26 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;tris(2,3,4,5,6-pentafluorophenyl)alumane is sourced from PubChem (CID 134906062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).