2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane

C9H17F3OSi — CID 19604078

IUPAC2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane
SMILESCC1CCC[Si](C)(CCC(F)(F)F)O1
InChIInChI=1S/C9H17F3OSi/c1-8-4-3-6-14(2,13-8)7-5-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyKPFXCRXSFVPZTD-UHFFFAOYSA-N
MW226.31 g/mol
LogP3.71
Rot. Bonds2

About 2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane

2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane (PubChem CID 19604078) has the molecular formula C9H17F3OSi and a molecular weight of 226.31 g/mol. Its IUPAC name is 2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane.

Molecular Properties

Compound Name2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane
PubChem CID19604078
Molecular FormulaC9H17F3OSi
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane
SMILESCC1CCC[Si](C)(CCC(F)(F)F)O1
InChIInChI=1S/C9H17F3OSi/c1-8-4-3-6-14(2,13-8)7-5-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyKPFXCRXSFVPZTD-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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 2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane?
The IUPAC name of 2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane (CID 19604078) is 2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane.
What is the SMILES notation for 2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane?
The canonical SMILES for 2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane is CC1CCC[Si](C)(CCC(F)(F)F)O1.
What is the InChIKey of 2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane?
The InChIKey is KPFXCRXSFVPZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3OSi/c1-8-4-3-6-14(2,13-8)7-5-9(10,11)12/h8H,3-7H2,1-2H3.
What are the key properties of 2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane?
2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane has a molecular weight of 226.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-(3,3,3-trifluoropropyl)oxasilinane is sourced from PubChem (CID 19604078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).