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

C7H13F3O3Si — CID 175052315

IUPAC2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane
SMILESO[Si]1(O)CCCC(CC(F)C(F)F)O1
InChIInChI=1S/C7H13F3O3Si/c8-6(7(9)10)4-5-2-1-3-14(11,12)13-5/h5-7,11-12H,1-4H2
InChIKeyCEWJMVXMHOVSLR-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.08
Rot. Bonds3

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

2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane (PubChem CID 175052315) has the molecular formula C7H13F3O3Si and a molecular weight of 230.26 g/mol. Its IUPAC name is 2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane.

Molecular Properties

Compound Name2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane
PubChem CID175052315
Molecular FormulaC7H13F3O3Si
Molecular Weight230.26 g/mol
Exact Mass230.06
IUPAC Name2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane
SMILESO[Si]1(O)CCCC(CC(F)C(F)F)O1
InChIInChI=1S/C7H13F3O3Si/c8-6(7(9)10)4-5-2-1-3-14(11,12)13-5/h5-7,11-12H,1-4H2
InChIKeyCEWJMVXMHOVSLR-UHFFFAOYSA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane?
The IUPAC name of 2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane (CID 175052315) is 2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane.
What is the SMILES notation for 2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane?
The canonical SMILES for 2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane is O[Si]1(O)CCCC(CC(F)C(F)F)O1.
What is the InChIKey of 2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane?
The InChIKey is CEWJMVXMHOVSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O3Si/c8-6(7(9)10)4-5-2-1-3-14(11,12)13-5/h5-7,11-12H,1-4H2.
What are the key properties of 2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane?
2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane has a molecular weight of 230.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane is sourced from PubChem (CID 175052315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).