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

C10H19F3OSi — CID 67357109

IUPAC2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane
SMILESCC1CCC[Si](C)(CCC(F)C(F)F)O1
InChIInChI=1S/C10H19F3OSi/c1-8-4-3-6-15(2,14-8)7-5-9(11)10(12)13/h8-10H,3-7H2,1-2H3
InChIKeyOVYRCJNGQNSRSD-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.75
Rot. Bonds4

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

2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane (PubChem CID 67357109) has the molecular formula C10H19F3OSi and a molecular weight of 240.34 g/mol. Its IUPAC name is 2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane.

Molecular Properties

Compound Name2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane
PubChem CID67357109
Molecular FormulaC10H19F3OSi
Molecular Weight240.34 g/mol
Exact Mass240.12
IUPAC Name2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane
SMILESCC1CCC[Si](C)(CCC(F)C(F)F)O1
InChIInChI=1S/C10H19F3OSi/c1-8-4-3-6-15(2,14-8)7-5-9(11)10(12)13/h8-10H,3-7H2,1-2H3
InChIKeyOVYRCJNGQNSRSD-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane?
The IUPAC name of 2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane (CID 67357109) is 2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane.
What is the SMILES notation for 2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane?
The canonical SMILES for 2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane is CC1CCC[Si](C)(CCC(F)C(F)F)O1.
What is the InChIKey of 2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane?
The InChIKey is OVYRCJNGQNSRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3OSi/c1-8-4-3-6-15(2,14-8)7-5-9(11)10(12)13/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane?
2,6-dimethyl-2-(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 2,6-dimethyl-2-(3,4,4-trifluorobutyl)oxasilinane is sourced from PubChem (CID 67357109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).