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

C13H24F6O4Si — CID 172805489

IUPACbis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane
SMILESCC(C)[SiH](C(C)C)C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H22Si.2C2HF3O2/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)
InChIKeyRLHWQTWDKRTANG-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.71
Rot. Bonds3

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

bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane (PubChem CID 172805489) has the molecular formula C13H24F6O4Si and a molecular weight of 386.41 g/mol. Its IUPAC name is bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane.

Molecular Properties

Compound Namebis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane
PubChem CID172805489
Molecular FormulaC13H24F6O4Si
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Namebis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane
SMILESCC(C)[SiH](C(C)C)C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H22Si.2C2HF3O2/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)
InChIKeyRLHWQTWDKRTANG-UHFFFAOYSA-N
XLogP4.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.71
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?
The IUPAC name of bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane (CID 172805489) is bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane.
What is the SMILES notation for bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane?
The canonical SMILES for bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane is CC(C)[SiH](C(C)C)C(C)C.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?
The InChIKey is RLHWQTWDKRTANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22Si.2C2HF3O2/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).
What are the key properties of bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane?
bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane has a molecular weight of 386.41 g/mol, XLogP of 4.71, 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 is sourced from PubChem (CID 172805489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).