2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane

C16H21ClFNOSi — CID 175454411

IUPAC2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc(-c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H21ClFNOSi/c1-21(2,3)10-9-20-12-19-8-7-13(11-19)16-14(17)5-4-6-15(16)18/h4-8,11H,9-10,12H2,1-3H3
InChIKeyCKCYHVUMEJDBGD-UHFFFAOYSA-N
MW325.89 g/mol
LogP5.26
Rot. Bonds6

About 2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 175454411) has the molecular formula C16H21ClFNOSi and a molecular weight of 325.89 g/mol. Its IUPAC name is 2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID175454411
Molecular FormulaC16H21ClFNOSi
Molecular Weight325.89 g/mol
Exact Mass325.11
IUPAC Name2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc(-c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H21ClFNOSi/c1-21(2,3)10-9-20-12-19-8-7-13(11-19)16-14(17)5-4-6-15(16)18/h4-8,11H,9-10,12H2,1-3H3
InChIKeyCKCYHVUMEJDBGD-UHFFFAOYSA-N
XLogP5.26
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.89
LogP ≤ 55.26
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-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane (CID 175454411) is 2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc(-c2c(F)cccc2Cl)c1.
What is the InChIKey of 2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CKCYHVUMEJDBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNOSi/c1-21(2,3)10-9-20-12-19-8-7-13(11-19)16-14(17)5-4-6-15(16)18/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of 2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 325.89 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175454411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).