2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane

C10H19F3OSi — CID 70183797

IUPAC2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane
SMILESC[Si]1(C)CCCC(CCC(F)C(F)F)O1
InChIInChI=1S/C10H19F3OSi/c1-15(2)7-3-4-8(14-15)5-6-9(11)10(12)13/h8-10H,3-7H2,1-2H3
InChIKeyOTOCESZQUMEAPB-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.75
Rot. Bonds4

About 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane

2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane (PubChem CID 70183797) has the molecular formula C10H19F3OSi and a molecular weight of 240.34 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane.

Molecular Properties

Compound Name2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane
PubChem CID70183797
Molecular FormulaC10H19F3OSi
Molecular Weight240.34 g/mol
Exact Mass240.12
IUPAC Name2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane
SMILESC[Si]1(C)CCCC(CCC(F)C(F)F)O1
InChIInChI=1S/C10H19F3OSi/c1-15(2)7-3-4-8(14-15)5-6-9(11)10(12)13/h8-10H,3-7H2,1-2H3
InChIKeyOTOCESZQUMEAPB-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trimethyl(1,1,1-trifluorononan-2-yloxy)silane
CID 86241060
6-(1-Fluorobutyl)-2,2-dihydroxyoxasilinane
CID 18354045
2,6-Dimethyl-2-(1,1,2-trifluoropropyl)oxasilinane
CID 18997289
2,6-Dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane
CID 19604078
2-Methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane
CID 19688934
2,2-Dimethyl-6-(3,3,3-trifluoropropyl)oxasilinane
CID 19922170
2,2-Dimethyl-6-(2,3,3-trifluoropropyl)oxasilinane
CID 66764302
2,6-Dimethyl-2-(1,1,2-trifluoro-2-methylpropyl)oxasilinane
CID 66776987
2-(1-Fluorooctyl)-2-methyloxasilinane
CID 67353077
2,6-Dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane
CID 67357109
2,6-Dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane
CID 67706266
2,2-Dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane
CID 69101183

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane?
The IUPAC name of 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane (CID 70183797) is 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane.
What is the SMILES notation for 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane?
The canonical SMILES for 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane is C[Si]1(C)CCCC(CCC(F)C(F)F)O1.
What is the InChIKey of 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane?
The InChIKey is OTOCESZQUMEAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3OSi/c1-15(2)7-3-4-8(14-15)5-6-9(11)10(12)13/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane?
2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane has a molecular weight of 240.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane is sourced from PubChem (CID 70183797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).