bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate

C13H26F6O5Si — CID 172742353

IUPACbis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate
SMILESCC(C)[SiH](C(C)C)C(C)C.O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H22Si.2C2HF3O2.H2O/c1-7(2)10(8(3)4)9(5)6;2*3-2(4,5)1(6)7;/h7-10H,1-6H3;2*(H,6,7);1H2
InChIKeyJGQQLYTZQYPYOU-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.89
Rot. Bonds3

About bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate

bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate (PubChem CID 172742353) has the molecular formula C13H26F6O5Si and a molecular weight of 404.42 g/mol. Its IUPAC name is bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate.

Molecular Properties

Compound Namebis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate
PubChem CID172742353
Molecular FormulaC13H26F6O5Si
Molecular Weight404.42 g/mol
Exact Mass404.15
IUPAC Namebis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate
SMILESCC(C)[SiH](C(C)C)C(C)C.O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H22Si.2C2HF3O2.H2O/c1-7(2)10(8(3)4)9(5)6;2*3-2(4,5)1(6)7;/h7-10H,1-6H3;2*(H,6,7);1H2
InChIKeyJGQQLYTZQYPYOU-UHFFFAOYSA-N
XLogP3.89
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate?
The IUPAC name of bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate (CID 172742353) is bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate.
What is the SMILES notation for bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate?
The canonical SMILES for bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate is CC(C)[SiH](C(C)C)C(C)C.O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate?
The InChIKey is JGQQLYTZQYPYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22Si.2C2HF3O2.H2O/c1-7(2)10(8(3)4)9(5)6;2*3-2(4,5)1(6)7;/h7-10H,1-6H3;2*(H,6,7);1H2.
What are the key properties of bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate?
bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate has a molecular weight of 404.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate is sourced from PubChem (CID 172742353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).