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

C9H15F7O4Si — CID 4712695

IUPAC3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane
SMILESCO[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(OC)OC
InChIInChI=1S/C9H15F7O4Si/c1-17-21(18-2,19-3)6-4-5-20-7(10,8(11,12)13)9(14,15)16/h4-6H2,1-3H3
InChIKeyTVBHYYFJOKDTPF-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.06
Rot. Bonds8

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

3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane (PubChem CID 4712695) has the molecular formula C9H15F7O4Si and a molecular weight of 348.29 g/mol. Its IUPAC name is 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane
PubChem CID4712695
Molecular FormulaC9H15F7O4Si
Molecular Weight348.29 g/mol
Exact Mass348.06
IUPAC Name3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane
SMILESCO[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(OC)OC
InChIInChI=1S/C9H15F7O4Si/c1-17-21(18-2,19-3)6-4-5-20-7(10,8(11,12)13)9(14,15)16/h4-6H2,1-3H3
InChIKeyTVBHYYFJOKDTPF-UHFFFAOYSA-N
XLogP3.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane?
The IUPAC name of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane (CID 4712695) is 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane.
What is the SMILES notation for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane?
The canonical SMILES for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane is CO[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(OC)OC.
What is the InChIKey of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane?
The InChIKey is TVBHYYFJOKDTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F7O4Si/c1-17-21(18-2,19-3)6-4-5-20-7(10,8(11,12)13)9(14,15)16/h4-6H2,1-3H3.
What are the key properties of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane?
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane has a molecular weight of 348.29 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane is sourced from PubChem (CID 4712695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).