(2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

C15H11Cl2F5OSi — CID 91723516

IUPAC(2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OCc1cc(Cl)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H11Cl2F5OSi/c1-24(2,23-6-7-5-8(16)3-4-9(7)17)15-13(21)11(19)10(18)12(20)14(15)22/h3-5H,6H2,1-2H3
InChIKeyRHTXSDGITYJLHQ-UHFFFAOYSA-N
MW401.23 g/mol
LogP5.32
Rot. Bonds4

About (2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

(2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91723516) has the molecular formula C15H11Cl2F5OSi and a molecular weight of 401.23 g/mol. Its IUPAC name is (2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name(2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91723516
Molecular FormulaC15H11Cl2F5OSi
Molecular Weight401.23 g/mol
Exact Mass399.99
IUPAC Name(2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OCc1cc(Cl)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H11Cl2F5OSi/c1-24(2,23-6-7-5-8(16)3-4-9(7)17)15-13(21)11(19)10(18)12(20)14(15)22/h3-5H,6H2,1-2H3
InChIKeyRHTXSDGITYJLHQ-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.23
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-6-fluorobenzyl alcohol, bromomethyldimethylsilyl ether
CID 91735266
2-Chloro-6-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735267
2-(4-Chlorophenyl)ethanol, dimethylpentafluorophenylsilyl ether
CID 91738936
(2,6-Dichlorophenyl)metanol, dimethylpentafluorophenylsilyl ether
CID 91744443
(2,3-Dichlorophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91744473
2-Chloro-6-fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91733153
2-Chlorobenzyloxy-trimethylsilane
CID 11310436
1-Chloro-4-dimethyl(pentafluorophenyl)silyloxymethylbenzene
CID 580484
2-Chloro-6-fluorobenzyl alcohol, TMS derivative
CID 91735265
1-(2-Chloro-6-fluorophenyl)ethyl (t-butyldimethylsilyl)ether
CID 53883754
Tert-butyl-[(3-chloro-2-fluoro-5-iodophenyl)methoxy]-dimethylsilane
CID 59783976
Tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane
CID 59784035

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of (2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 91723516) is (2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for (2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for (2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is C[Si](C)(OCc1cc(Cl)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is RHTXSDGITYJLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F5OSi/c1-24(2,23-6-7-5-8(16)3-4-9(7)17)15-13(21)11(19)10(18)12(20)14(15)22/h3-5H,6H2,1-2H3.
What are the key properties of (2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
(2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 401.23 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91723516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).