2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate

C11H23F3O2Si — CID 87125637

IUPAC2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate
SMILESCC(C)[Si](C(=O)C(F)(F)F)(C(C)C)C(C)C.O
InChIInChI=1S/C11H21F3OSi.H2O/c1-7(2)16(8(3)4,9(5)6)10(15)11(12,13)14;/h7-9H,1-6H3;1H2
InChIKeyICHQYQUUCDHKLC-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.51
Rot. Bonds4

About 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate

2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate (PubChem CID 87125637) has the molecular formula C11H23F3O2Si and a molecular weight of 272.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate.

Molecular Properties

Compound Name2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate
PubChem CID87125637
Molecular FormulaC11H23F3O2Si
Molecular Weight272.38 g/mol
Exact Mass272.14
IUPAC Name2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate
SMILESCC(C)[Si](C(=O)C(F)(F)F)(C(C)C)C(C)C.O
InChIInChI=1S/C11H21F3OSi.H2O/c1-7(2)16(8(3)4,9(5)6)10(15)11(12,13)14;/h7-9H,1-6H3;1H2
InChIKeyICHQYQUUCDHKLC-UHFFFAOYSA-N
XLogP3.51
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
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-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate?
The IUPAC name of 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate (CID 87125637) is 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate.
What is the SMILES notation for 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate?
The canonical SMILES for 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate is CC(C)[Si](C(=O)C(F)(F)F)(C(C)C)C(C)C.O.
What is the InChIKey of 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate?
The InChIKey is ICHQYQUUCDHKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3OSi.H2O/c1-7(2)16(8(3)4,9(5)6)10(15)11(12,13)14;/h7-9H,1-6H3;1H2.
What are the key properties of 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate?
2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate has a molecular weight of 272.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-tri(propan-2-yl)silylethanone;hydrate is sourced from PubChem (CID 87125637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).