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

C11H25F3O3Si — CID 131728955

IUPAC2,2,2-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
InChIInChI=1S/C9H22Si.C2HF3O2.H2O/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7;/h7-10H,1-6H3;(H,6,7);1H2
InChIKeySBPPGXHZAJANCP-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.25
Rot. Bonds3

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

2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate (PubChem CID 131728955) has the molecular formula C11H25F3O3Si and a molecular weight of 290.40 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate
PubChem CID131728955
Molecular FormulaC11H25F3O3Si
Molecular Weight290.40 g/mol
Exact Mass290.15
IUPAC Name2,2,2-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
InChIInChI=1S/C9H22Si.C2HF3O2.H2O/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7;/h7-10H,1-6H3;(H,6,7);1H2
InChIKeySBPPGXHZAJANCP-UHFFFAOYSA-N
XLogP3.25
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate?
The IUPAC name of 2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate (CID 131728955) is 2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate?
The canonical SMILES for 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.
What is the InChIKey of 2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate?
The InChIKey is SBPPGXHZAJANCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22Si.C2HF3O2.H2O/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7;/h7-10H,1-6H3;(H,6,7);1H2.
What are the key properties of 2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate?
2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate has a molecular weight of 290.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate is sourced from PubChem (CID 131728955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).