diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane

C14H21F3O3Si — CID 154500757

IUPACdiethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
SMILESCCOC(OCC)O[SiH2]CCCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H21F3O3Si/c1-3-18-14(19-4-2)20-21-7-5-6-10-8-12(16)13(17)9-11(10)15/h8-9,14H,3-7,21H2,1-2H3
InChIKeySNMVNHLTLFFWNB-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.91
Rot. Bonds10

About diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane

diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane (PubChem CID 154500757) has the molecular formula C14H21F3O3Si and a molecular weight of 322.40 g/mol. Its IUPAC name is diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane.

Molecular Properties

Compound Namediethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
PubChem CID154500757
Molecular FormulaC14H21F3O3Si
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Namediethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
SMILESCCOC(OCC)O[SiH2]CCCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H21F3O3Si/c1-3-18-14(19-4-2)20-21-7-5-6-10-8-12(16)13(17)9-11(10)15/h8-9,14H,3-7,21H2,1-2H3
InChIKeySNMVNHLTLFFWNB-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
The IUPAC name of diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane (CID 154500757) is diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane.
What is the SMILES notation for diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
The canonical SMILES for diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane is CCOC(OCC)O[SiH2]CCCc1cc(F)c(F)cc1F.
What is the InChIKey of diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
The InChIKey is SNMVNHLTLFFWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3O3Si/c1-3-18-14(19-4-2)20-21-7-5-6-10-8-12(16)13(17)9-11(10)15/h8-9,14H,3-7,21H2,1-2H3.
What are the key properties of diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane has a molecular weight of 322.40 g/mol, XLogP of 2.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane is sourced from PubChem (CID 154500757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).