1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane

C9H17F3OSi — CID 14993025

IUPAC1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane
SMILESC[Si]1(C)CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C9H17F3OSi/c1-14(2)5-3-4-8(6-14)13-7-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyPMNSSXVFAJQQJD-UHFFFAOYSA-N
MW226.31 g/mol
LogP3.44
Rot. Bonds2

About 1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane

1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane (PubChem CID 14993025) has the molecular formula C9H17F3OSi and a molecular weight of 226.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane.

Molecular Properties

Compound Name1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane
PubChem CID14993025
Molecular FormulaC9H17F3OSi
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane
SMILESC[Si]1(C)CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C9H17F3OSi/c1-14(2)5-3-4-8(6-14)13-7-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyPMNSSXVFAJQQJD-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl-(oxan-2-yl)-(3,3,3-trifluoropropyl)silane
CID 123505626
2,6-Dimethyl-2-(1,1,2-trifluoropropyl)oxasilinane
CID 18997289
2,6-Dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane
CID 19604078
2,2-Dimethyl-6-(3,3,3-trifluoropropyl)oxasilinane
CID 19922170
4-Cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane
CID 20726307
Dimethyl-(oxan-2-yl)-(3,3,3-trifluoropropyl)silane
CID 57264747
2,2-Dimethyl-6-(2,3,3-trifluoropropyl)oxasilinane
CID 66764302
2,6-Dimethyl-2-(1,1,2-trifluoro-2-methylpropyl)oxasilinane
CID 66776987
2,6-Dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane
CID 67357109
2,6-Dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane
CID 67706266
Dimethyl-propyl-[2-(trifluoromethyl)oxan-2-yl]silane
CID 69191346
2,6-Dimethyl-2-(3,4,4-trifluorobutan-2-yl)oxasilinane
CID 69650652

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane?
The IUPAC name of 1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane (CID 14993025) is 1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane.
What is the SMILES notation for 1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane?
The canonical SMILES for 1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane is C[Si]1(C)CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane?
The InChIKey is PMNSSXVFAJQQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3OSi/c1-14(2)5-3-4-8(6-14)13-7-9(10,11)12/h8H,3-7H2,1-2H3.
What are the key properties of 1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane?
1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane has a molecular weight of 226.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2,2,2-trifluoroethoxy)silinane is sourced from PubChem (CID 14993025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).