ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane

C14H21F3O3Si — CID 90172834

IUPACethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane
SMILESCCO[Si](CCCCc1c(F)cc(F)cc1F)(OC)OC
InChIInChI=1S/C14H21F3O3Si/c1-4-20-21(18-2,19-3)8-6-5-7-12-13(16)9-11(15)10-14(12)17/h9-10H,4-8H2,1-3H3
InChIKeyMCVXCUVDNZUEBK-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.69
Rot. Bonds9

About ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane

ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane (PubChem CID 90172834) has the molecular formula C14H21F3O3Si and a molecular weight of 322.40 g/mol. Its IUPAC name is ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane.

Molecular Properties

Compound Nameethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane
PubChem CID90172834
Molecular FormulaC14H21F3O3Si
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Nameethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane
SMILESCCO[Si](CCCCc1c(F)cc(F)cc1F)(OC)OC
InChIInChI=1S/C14H21F3O3Si/c1-4-20-21(18-2,19-3)8-6-5-7-12-13(16)9-11(15)10-14(12)17/h9-10H,4-8H2,1-3H3
InChIKeyMCVXCUVDNZUEBK-UHFFFAOYSA-N
XLogP3.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.69
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'}

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Related Compounds

ethoxy-dimethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90174742
triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90170863
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90174390
ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174756
dihydroxy-methoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90170374
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
CID 90172549
1,3,5-trifluoro-2-heptylbenzene
CID 59545279
[di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate
CID 90171359
trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174592
4-[3,5-bis(trifluoromethyl)phenyl]butyl-diethoxy-methoxysilane
CID 90171444

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane?
The IUPAC name of ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane (CID 90172834) is ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane.
What is the SMILES notation for ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane?
The canonical SMILES for ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane is CCO[Si](CCCCc1c(F)cc(F)cc1F)(OC)OC.
What is the InChIKey of ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane?
The InChIKey is MCVXCUVDNZUEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3O3Si/c1-4-20-21(18-2,19-3)8-6-5-7-12-13(16)9-11(15)10-14(12)17/h9-10H,4-8H2,1-3H3.
What are the key properties of ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane?
ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane has a molecular weight of 322.40 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane is sourced from PubChem (CID 90172834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).