2-(3,4,4-trifluorobutan-2-yl)oxasilinane

C8H15F3OSi — CID 173009517

IUPAC2-(3,4,4-trifluorobutan-2-yl)oxasilinane
SMILESCC(C(F)C(F)F)[SiH]1CCCCO1
InChIInChI=1S/C8H15F3OSi/c1-6(7(9)8(10)11)13-5-3-2-4-12-13/h6-8,13H,2-5H2,1H3
InChIKeyQRQDVAZHCUFATR-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.51
Rot. Bonds3

About 2-(3,4,4-trifluorobutan-2-yl)oxasilinane

2-(3,4,4-trifluorobutan-2-yl)oxasilinane (PubChem CID 173009517) has the molecular formula C8H15F3OSi and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3,4,4-trifluorobutan-2-yl)oxasilinane.

Molecular Properties

Compound Name2-(3,4,4-trifluorobutan-2-yl)oxasilinane
PubChem CID173009517
Molecular FormulaC8H15F3OSi
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name2-(3,4,4-trifluorobutan-2-yl)oxasilinane
SMILESCC(C(F)C(F)F)[SiH]1CCCCO1
InChIInChI=1S/C8H15F3OSi/c1-6(7(9)8(10)11)13-5-3-2-4-12-13/h6-8,13H,2-5H2,1H3
InChIKeyQRQDVAZHCUFATR-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.51
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-(3,4,4-trifluorobutan-2-yl)oxasilinane?
The IUPAC name of 2-(3,4,4-trifluorobutan-2-yl)oxasilinane (CID 173009517) is 2-(3,4,4-trifluorobutan-2-yl)oxasilinane.
What is the SMILES notation for 2-(3,4,4-trifluorobutan-2-yl)oxasilinane?
The canonical SMILES for 2-(3,4,4-trifluorobutan-2-yl)oxasilinane is CC(C(F)C(F)F)[SiH]1CCCCO1.
What is the InChIKey of 2-(3,4,4-trifluorobutan-2-yl)oxasilinane?
The InChIKey is QRQDVAZHCUFATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3OSi/c1-6(7(9)8(10)11)13-5-3-2-4-12-13/h6-8,13H,2-5H2,1H3.
What are the key properties of 2-(3,4,4-trifluorobutan-2-yl)oxasilinane?
2-(3,4,4-trifluorobutan-2-yl)oxasilinane has a molecular weight of 212.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4-trifluorobutan-2-yl)oxasilinane is sourced from PubChem (CID 173009517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).