tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane

C8H11F6O2Rf3- — CID 58017908

IUPACtris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane
SMILESC[C-](OCOC(C)(C)C(F)(F)F)C(F)(F)F.[Rf].[Rf].[Rf]
InChIInChI=1S/C8H11F6O2.3Rf/c1-5(7(9,10)11)15-4-16-6(2,3)8(12,13)14;;;/h4H2,1-3H3;;;/q-1;;;
InChIKeyZXDXNEGQVSZEPC-UHFFFAOYSA-N
MW1054.16 g/mol
LogP3.43
Rot. Bonds4

About tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane

tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane (PubChem CID 58017908) has the molecular formula C8H11F6O2Rf3- and a molecular weight of 1054.16 g/mol. Its IUPAC name is tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane.

Molecular Properties

Compound Nametris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane
PubChem CID58017908
Molecular FormulaC8H11F6O2Rf3-
Molecular Weight1054.16 g/mol
Exact Mass1054.43
IUPAC Nametris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane
SMILESC[C-](OCOC(C)(C)C(F)(F)F)C(F)(F)F.[Rf].[Rf].[Rf]
InChIInChI=1S/C8H11F6O2.3Rf/c1-5(7(9,10)11)15-4-16-6(2,3)8(12,13)14;;;/h4H2,1-3H3;;;/q-1;;;
InChIKeyZXDXNEGQVSZEPC-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001054.16
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1,2,3,3-Hexafluoro-2-(methoxymethoxy)propane
CID 18974574
2-(Ethoxymethoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 20761259
1,1,1-Trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane
CID 20826465
2-(Ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane
CID 20826490
1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane
CID 21053442
1,1,1,2,3,3-Hexafluoro-2-[fluoro(methoxy)methoxy]propane
CID 23225962
Tert-butyl (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) carbonate
CID 23520711
[2-[[1,1-Difluoro-2-methyl-1-(oxomethoxy)propan-2-yl]oxymethoxy]-1,1,3,3,3-pentafluoropropoxy]methanone;hexakis(rutherfordium)
CID 57548610
2-Methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane;tetrakis(rutherfordium)
CID 57548616
2-(Ethoxymethoxy)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 57724382
1,1,1-Trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)butane
CID 57806663
1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)-2-methylpropane
CID 58782394

Frequently Asked Questions

What is the IUPAC name of tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane?
The IUPAC name of tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane (CID 58017908) is tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane.
What is the SMILES notation for tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane?
The canonical SMILES for tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane is C[C-](OCOC(C)(C)C(F)(F)F)C(F)(F)F.[Rf].[Rf].[Rf].
What is the InChIKey of tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane?
The InChIKey is ZXDXNEGQVSZEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6O2.3Rf/c1-5(7(9,10)11)15-4-16-6(2,3)8(12,13)14;;;/h4H2,1-3H3;;;/q-1;;;.
What are the key properties of tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane?
tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane has a molecular weight of 1054.16 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(rutherfordium);1,1,1-trifluoro-2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane is sourced from PubChem (CID 58017908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).