(1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane

C12H24F3NO2Si — CID 152638170

IUPAC(1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane
SMILESCCN1CCCCC1[Si](CCC(F)(F)F)(OC)OC
InChIInChI=1S/C12H24F3NO2Si/c1-4-16-9-6-5-7-11(16)19(17-2,18-3)10-8-12(13,14)15/h11H,4-10H2,1-3H3
InChIKeyZEZDYOASUIROFC-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.09
Rot. Bonds6

About (1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane

(1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane (PubChem CID 152638170) has the molecular formula C12H24F3NO2Si and a molecular weight of 299.41 g/mol. Its IUPAC name is (1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Name(1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane
PubChem CID152638170
Molecular FormulaC12H24F3NO2Si
Molecular Weight299.41 g/mol
Exact Mass299.15
IUPAC Name(1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane
SMILESCCN1CCCCC1[Si](CCC(F)(F)F)(OC)OC
InChIInChI=1S/C12H24F3NO2Si/c1-4-16-9-6-5-7-11(16)19(17-2,18-3)10-8-12(13,14)15/h11H,4-10H2,1-3H3
InChIKeyZEZDYOASUIROFC-UHFFFAOYSA-N
XLogP3.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
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 (1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane?
The IUPAC name of (1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane (CID 152638170) is (1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for (1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for (1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane is CCN1CCCCC1[Si](CCC(F)(F)F)(OC)OC.
What is the InChIKey of (1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane?
The InChIKey is ZEZDYOASUIROFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2Si/c1-4-16-9-6-5-7-11(16)19(17-2,18-3)10-8-12(13,14)15/h11H,4-10H2,1-3H3.
What are the key properties of (1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane?
(1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane has a molecular weight of 299.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-2-yl)-dimethoxy-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 152638170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).