3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane

C9H15F7O4Si — CID 2733757

IUPAC3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane
SMILESCO[Si](CCCOC(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C9H15F7O4Si/c1-17-21(18-2,19-3)6-4-5-20-9(15,16)7(10,11)8(12,13)14/h4-6H2,1-3H3
InChIKeyWTRLQPBTOQFOEJ-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.06
Rot. Bonds9

About 3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane

3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane (PubChem CID 2733757) has the molecular formula C9H15F7O4Si and a molecular weight of 348.29 g/mol. Its IUPAC name is 3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane
PubChem CID2733757
Molecular FormulaC9H15F7O4Si
Molecular Weight348.29 g/mol
Exact Mass348.06
IUPAC Name3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane
SMILESCO[Si](CCCOC(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C9H15F7O4Si/c1-17-21(18-2,19-3)6-4-5-20-9(15,16)7(10,11)8(12,13)14/h4-6H2,1-3H3
InChIKeyWTRLQPBTOQFOEJ-UHFFFAOYSA-N
XLogP3.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

triethoxy-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propyl]silane
CID 71410842
3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane
CID 141120987
N-methyl-2-(3-trimethoxysilylpropoxy)propan-2-amine
CID 22661603
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide
CID 15072327
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
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hentriacontafluoroheptadecyl(trimethoxy)silane
CID 175694492
trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 160847650
bis[[dimethyl-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]silyl]oxy]silyloxy-dimethyl-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]silane
CID 173326671
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane
CID 140747069

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane?
The IUPAC name of 3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane (CID 2733757) is 3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane.
What is the SMILES notation for 3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane?
The canonical SMILES for 3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane is CO[Si](CCCOC(F)(F)C(F)(F)C(F)(F)F)(OC)OC.
What is the InChIKey of 3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane?
The InChIKey is WTRLQPBTOQFOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F7O4Si/c1-17-21(18-2,19-3)6-4-5-20-9(15,16)7(10,11)8(12,13)14/h4-6H2,1-3H3.
What are the key properties of 3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane?
3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane has a molecular weight of 348.29 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane is sourced from PubChem (CID 2733757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).