ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane

C12H22F6O3Si — CID 174971084

IUPACethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane
SMILESCCCCCC[Si](OCC)(OC(C)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C12H22F6O3Si/c1-4-6-7-8-9-22(19-5-2,20-10(3)13)21-12(17,18)11(14,15)16/h10H,4-9H2,1-3H3
InChIKeySOTCBKCLSDLTJP-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.05
Rot. Bonds11

About ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane

ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane (PubChem CID 174971084) has the molecular formula C12H22F6O3Si and a molecular weight of 356.38 g/mol. Its IUPAC name is ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane.

Molecular Properties

Compound Nameethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane
PubChem CID174971084
Molecular FormulaC12H22F6O3Si
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Nameethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane
SMILESCCCCCC[Si](OCC)(OC(C)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C12H22F6O3Si/c1-4-6-7-8-9-22(19-5-2,20-10(3)13)21-12(17,18)11(14,15)16/h10H,4-9H2,1-3H3
InChIKeySOTCBKCLSDLTJP-UHFFFAOYSA-N
XLogP5.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane
CID 175214480
ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane
CID 150049820
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(8-fluorohenicosyl)silane
CID 87070985
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
diethoxy-octyl-pentadecan-2-yloxysilane
CID 150899900
1-fluorotridecane;triethoxy(octyl)silane
CID 175426925
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814

Frequently Asked Questions

What is the IUPAC name of ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane?
The IUPAC name of ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane (CID 174971084) is ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane.
What is the SMILES notation for ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane?
The canonical SMILES for ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane is CCCCCC[Si](OCC)(OC(C)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane?
The InChIKey is SOTCBKCLSDLTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F6O3Si/c1-4-6-7-8-9-22(19-5-2,20-10(3)13)21-12(17,18)11(14,15)16/h10H,4-9H2,1-3H3.
What are the key properties of ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane?
ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane has a molecular weight of 356.38 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane is sourced from PubChem (CID 174971084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).