2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane

C10H17BrFNOSi — CID 175192974

IUPAC2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc(F)c1Br
InChIInChI=1S/C10H17BrFNOSi/c1-15(2,3)7-6-14-8-13-5-4-9(12)10(13)11/h4-5H,6-8H2,1-3H3
InChIKeyKXZZHUHLKBMNJP-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.70
Rot. Bonds5

About 2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane

2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 175192974) has the molecular formula C10H17BrFNOSi and a molecular weight of 294.24 g/mol. Its IUPAC name is 2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID175192974
Molecular FormulaC10H17BrFNOSi
Molecular Weight294.24 g/mol
Exact Mass293.02
IUPAC Name2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc(F)c1Br
InChIInChI=1S/C10H17BrFNOSi/c1-15(2,3)7-6-14-8-13-5-4-9(12)10(13)11/h4-5H,6-8H2,1-3H3
InChIKeyKXZZHUHLKBMNJP-UHFFFAOYSA-N
XLogP3.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane (CID 175192974) is 2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc(F)c1Br.
What is the InChIKey of 2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is KXZZHUHLKBMNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrFNOSi/c1-15(2,3)7-6-14-8-13-5-4-9(12)10(13)11/h4-5H,6-8H2,1-3H3.
What are the key properties of 2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 294.24 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175192974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).