1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane

C16H31F3O3Si — CID 174814329

IUPAC1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane
SMILESCCOC1(CC)C(CCC(F)(F)F)CCC[Si]1(OCC)OCC
InChIInChI=1S/C16H31F3O3Si/c1-5-15(20-6-2)14(11-12-16(17,18)19)10-9-13-23(15,21-7-3)22-8-4/h14H,5-13H2,1-4H3
InChIKeyYYYUPWHUMSNULG-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.98
Rot. Bonds9

About 1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane

1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane (PubChem CID 174814329) has the molecular formula C16H31F3O3Si and a molecular weight of 356.50 g/mol. Its IUPAC name is 1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane
PubChem CID174814329
Molecular FormulaC16H31F3O3Si
Molecular Weight356.50 g/mol
Exact Mass356.20
IUPAC Name1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane
SMILESCCOC1(CC)C(CCC(F)(F)F)CCC[Si]1(OCC)OCC
InChIInChI=1S/C16H31F3O3Si/c1-5-15(20-6-2)14(11-12-16(17,18)19)10-9-13-23(15,21-7-3)22-8-4/h14H,5-13H2,1-4H3
InChIKeyYYYUPWHUMSNULG-UHFFFAOYSA-N
XLogP4.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-6-(3,4,4-trifluorobutan-2-yl)oxasilinane
CID 66776988
2,2-Dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane
CID 67839746
1,1,2-Trimethoxy-2-propyl-3-(trifluoromethyl)silinane
CID 174391507
1,1,2-Triethoxy-3-ethyl-2-(trifluoromethyl)silinane
CID 174600477
1,1,2-Triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane
CID 174814330
1,1,2-Triethoxy-2-ethyl-3-(2-methylpropyl)silinane
CID 174593190
1,1,2-Triethoxy-2-ethyl-3-propan-2-ylsilinane
CID 174838152
1,1,2-Triethoxy-2-ethyl-3-propylsilinane
CID 175326651

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane?
The IUPAC name of 1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane (CID 174814329) is 1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane.
What is the SMILES notation for 1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane?
The canonical SMILES for 1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane is CCOC1(CC)C(CCC(F)(F)F)CCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane?
The InChIKey is YYYUPWHUMSNULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3O3Si/c1-5-15(20-6-2)14(11-12-16(17,18)19)10-9-13-23(15,21-7-3)22-8-4/h14H,5-13H2,1-4H3.
What are the key properties of 1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane?
1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane has a molecular weight of 356.50 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxy-2-ethyl-3-(3,3,3-trifluoropropyl)silinane is sourced from PubChem (CID 174814329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).