tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane

C10H21F3OSi — CID 19793843

IUPACtert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane
SMILESCC(C)(C)[Si](C)(C)OC(F)C(F)CCF
InChIInChI=1S/C10H21F3OSi/c1-10(2,3)15(4,5)14-9(13)8(12)6-7-11/h8-9H,6-7H2,1-5H3
InChIKeyPFNWZQUHKPQNFX-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.00
Rot. Bonds5

About tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane

tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane (PubChem CID 19793843) has the molecular formula C10H21F3OSi and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane
PubChem CID19793843
Molecular FormulaC10H21F3OSi
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Nametert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane
SMILESCC(C)(C)[Si](C)(C)OC(F)C(F)CCF
InChIInChI=1S/C10H21F3OSi/c1-10(2,3)15(4,5)14-9(13)8(12)6-7-11/h8-9H,6-7H2,1-5H3
InChIKeyPFNWZQUHKPQNFX-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.00
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 tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane (CID 19793843) is tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane is CC(C)(C)[Si](C)(C)OC(F)C(F)CCF.
What is the InChIKey of tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane?
The InChIKey is PFNWZQUHKPQNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3OSi/c1-10(2,3)15(4,5)14-9(13)8(12)6-7-11/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane?
tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane has a molecular weight of 242.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(1,2,4-trifluorobutoxy)silane is sourced from PubChem (CID 19793843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).