(1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane

C8H13F7O3Si — CID 19078827

IUPAC(1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane
SMILESCO[Si](OC)(OC)C(F)(F)C(F)(F)C(C)(F)C(F)F
InChIInChI=1S/C8H13F7O3Si/c1-6(11,5(9)10)7(12,13)8(14,15)19(16-2,17-3)18-4/h5H,1-4H3
InChIKeyUSKHNWVAYNVSKK-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.67
Rot. Bonds7

About (1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane

(1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane (PubChem CID 19078827) has the molecular formula C8H13F7O3Si and a molecular weight of 318.26 g/mol. Its IUPAC name is (1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane.

Molecular Properties

Compound Name(1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane
PubChem CID19078827
Molecular FormulaC8H13F7O3Si
Molecular Weight318.26 g/mol
Exact Mass318.05
IUPAC Name(1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane
SMILESCO[Si](OC)(OC)C(F)(F)C(F)(F)C(C)(F)C(F)F
InChIInChI=1S/C8H13F7O3Si/c1-6(11,5(9)10)7(12,13)8(14,15)19(16-2,17-3)18-4/h5H,1-4H3
InChIKeyUSKHNWVAYNVSKK-UHFFFAOYSA-N
XLogP2.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane?
The IUPAC name of (1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane (CID 19078827) is (1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane.
What is the SMILES notation for (1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane?
The canonical SMILES for (1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane is CO[Si](OC)(OC)C(F)(F)C(F)(F)C(C)(F)C(F)F.
What is the InChIKey of (1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane?
The InChIKey is USKHNWVAYNVSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F7O3Si/c1-6(11,5(9)10)7(12,13)8(14,15)19(16-2,17-3)18-4/h5H,1-4H3.
What are the key properties of (1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane?
(1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane has a molecular weight of 318.26 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2,3,4,4-heptafluoro-3-methylbutyl)-trimethoxysilane is sourced from PubChem (CID 19078827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).