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

C15H12BrF5OSi — CID 91725350

IUPAC(2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OCc1ccccc1Br)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H12BrF5OSi/c1-23(2,22-7-8-5-3-4-6-9(8)16)15-13(20)11(18)10(17)12(19)14(15)21/h3-6H,7H2,1-2H3
InChIKeyBKJFRXNKENQHQO-UHFFFAOYSA-N
MW411.24 g/mol
LogP4.77
Rot. Bonds4

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

(2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91725350) has the molecular formula C15H12BrF5OSi and a molecular weight of 411.24 g/mol. Its IUPAC name is (2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name(2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91725350
Molecular FormulaC15H12BrF5OSi
Molecular Weight411.24 g/mol
Exact Mass409.98
IUPAC Name(2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OCc1ccccc1Br)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H12BrF5OSi/c1-23(2,22-7-8-5-3-4-6-9(8)16)15-13(20)11(18)10(17)12(19)14(15)21/h3-6H,7H2,1-2H3
InChIKeyBKJFRXNKENQHQO-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.24
LogP ≤ 54.77
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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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of (2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 91725350) is (2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for (2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for (2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is C[Si](C)(OCc1ccccc1Br)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is BKJFRXNKENQHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF5OSi/c1-23(2,22-7-8-5-3-4-6-9(8)16)15-13(20)11(18)10(17)12(19)14(15)21/h3-6H,7H2,1-2H3.
What are the key properties of (2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
(2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 411.24 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91725350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).