1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane

C9H15F7O4Si — CID 18519537

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane
SMILESCCC(OC(F)(C(F)(F)F)C(F)(F)F)[Si](OC)(OC)OC
InChIInChI=1S/C9H15F7O4Si/c1-5-6(21(17-2,18-3)19-4)20-7(10,8(11,12)13)9(14,15)16/h6H,5H2,1-4H3
InChIKeyMSKDDFMMMXXXTB-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.99
Rot. Bonds7

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane (PubChem CID 18519537) has the molecular formula C9H15F7O4Si and a molecular weight of 348.29 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane
PubChem CID18519537
Molecular FormulaC9H15F7O4Si
Molecular Weight348.29 g/mol
Exact Mass348.06
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane
SMILESCCC(OC(F)(C(F)(F)F)C(F)(F)F)[Si](OC)(OC)OC
InChIInChI=1S/C9H15F7O4Si/c1-5-6(21(17-2,18-3)19-4)20-7(10,8(11,12)13)9(14,15)16/h6H,5H2,1-4H3
InChIKeyMSKDDFMMMXXXTB-UHFFFAOYSA-N
XLogP2.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane (CID 18519537) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane is CCC(OC(F)(C(F)(F)F)C(F)(F)F)[Si](OC)(OC)OC.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane?
The InChIKey is MSKDDFMMMXXXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F7O4Si/c1-5-6(21(17-2,18-3)19-4)20-7(10,8(11,12)13)9(14,15)16/h6H,5H2,1-4H3.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane has a molecular weight of 348.29 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane is sourced from PubChem (CID 18519537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).