3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane

C14H25F7O4Si — CID 141120987

IUPAC3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane
SMILESCO[Si](CCCOC(F)(F)C(F)(F)CCCCCC(F)(F)F)(OC)OC
InChIInChI=1S/C14H25F7O4Si/c1-22-26(23-2,24-3)11-7-10-25-14(20,21)12(15,16)8-5-4-6-9-13(17,18)19/h4-11H2,1-3H3
InChIKeyRPNDTHRKKJUVJE-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.01
Rot. Bonds14

About 3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane

3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane (PubChem CID 141120987) has the molecular formula C14H25F7O4Si and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane
PubChem CID141120987
Molecular FormulaC14H25F7O4Si
Molecular Weight418.42 g/mol
Exact Mass418.14
IUPAC Name3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane
SMILESCO[Si](CCCOC(F)(F)C(F)(F)CCCCCC(F)(F)F)(OC)OC
InChIInChI=1S/C14H25F7O4Si/c1-22-26(23-2,24-3)11-7-10-25-14(20,21)12(15,16)8-5-4-6-9-13(17,18)19/h4-11H2,1-3H3
InChIKeyRPNDTHRKKJUVJE-UHFFFAOYSA-N
XLogP5.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.01
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-(1,1,2,2,8,8,8-heptafluorooctoxy)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

Related Compounds

3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane
CID 2733757
diethoxy-methoxy-(5,5,5-trifluoropentyl)silane
CID 174718643
triethoxy(6,6,6-trifluorohexyl)silane
CID 140708883
trimethoxy(1,1,8,8,8-pentafluorooctyl)silane
CID 141376252
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 160847650
N-methyl-2-(3-trimethoxysilylpropoxy)propan-2-amine
CID 22661603
triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507
3-(3-fluoropropoxy)propyl-trimethoxysilane;fluoro(trimethoxy)methane
CID 90729153
3-(2-fluoroethoxy)propyl-trimethoxysilane;fluoro(trimethoxy)methane
CID 91274401
3-(fluoromethoxy)propyl-trimethoxysilane
CID 58238485

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane?
The IUPAC name of 3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane (CID 141120987) is 3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane.
What is the SMILES notation for 3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane?
The canonical SMILES for 3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane is CO[Si](CCCOC(F)(F)C(F)(F)CCCCCC(F)(F)F)(OC)OC.
What is the InChIKey of 3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane?
The InChIKey is RPNDTHRKKJUVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F7O4Si/c1-22-26(23-2,24-3)11-7-10-25-14(20,21)12(15,16)8-5-4-6-9-13(17,18)19/h4-11H2,1-3H3.
What are the key properties of 3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane?
3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane has a molecular weight of 418.42 g/mol, XLogP of 5.01, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane is sourced from PubChem (CID 141120987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).