2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane

C10H21FOSi — CID 70171527

IUPAC2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane
SMILESCCC(F)[Si]1(C)CCCC(C)(C)O1
InChIInChI=1S/C10H21FOSi/c1-5-9(11)13(4)8-6-7-10(2,3)12-13/h9H,5-8H2,1-4H3
InChIKeyIGWAWZQRWPCCRB-UHFFFAOYSA-N
MW204.36 g/mol
LogP3.44
Rot. Bonds2

About 2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane

2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane (PubChem CID 70171527) has the molecular formula C10H21FOSi and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane.

Molecular Properties

Compound Name2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane
PubChem CID70171527
Molecular FormulaC10H21FOSi
Molecular Weight204.36 g/mol
Exact Mass204.13
IUPAC Name2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane
SMILESCCC(F)[Si]1(C)CCCC(C)(C)O1
InChIInChI=1S/C10H21FOSi/c1-5-9(11)13(4)8-6-7-10(2,3)12-13/h9H,5-8H2,1-4H3
InChIKeyIGWAWZQRWPCCRB-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane?
The IUPAC name of 2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane (CID 70171527) is 2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane.
What is the SMILES notation for 2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane?
The canonical SMILES for 2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane is CCC(F)[Si]1(C)CCCC(C)(C)O1.
What is the InChIKey of 2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane?
The InChIKey is IGWAWZQRWPCCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FOSi/c1-5-9(11)13(4)8-6-7-10(2,3)12-13/h9H,5-8H2,1-4H3.
What are the key properties of 2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane?
2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane has a molecular weight of 204.36 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 2-(1-fluoropropyl)-2,6,6-trimethyloxasilinane is sourced from PubChem (CID 70171527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).