1-fluoro-1-methyl-2H-siline

C6H9FSi — CID 54142929

IUPAC1-fluoro-1-methyl-2H-siline
SMILESC[Si]1(F)C=CC=CC1
InChIInChI=1S/C6H9FSi/c1-8(7)5-3-2-4-6-8/h2-5H,6H2,1H3
InChIKeyLZSBVMKSIGRGRN-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.20
Rot. Bonds

About 1-fluoro-1-methyl-2H-siline

1-fluoro-1-methyl-2H-siline (PubChem CID 54142929) has the molecular formula C6H9FSi and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-fluoro-1-methyl-2H-siline.

Molecular Properties

Compound Name1-fluoro-1-methyl-2H-siline
PubChem CID54142929
Molecular FormulaC6H9FSi
Molecular Weight128.22 g/mol
Exact Mass128.05
IUPAC Name1-fluoro-1-methyl-2H-siline
SMILESC[Si]1(F)C=CC=CC1
InChIInChI=1S/C6H9FSi/c1-8(7)5-3-2-4-6-8/h2-5H,6H2,1H3
InChIKeyLZSBVMKSIGRGRN-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methyl-2H-siline?
The IUPAC name of 1-fluoro-1-methyl-2H-siline (CID 54142929) is 1-fluoro-1-methyl-2H-siline.
What is the SMILES notation for 1-fluoro-1-methyl-2H-siline?
The canonical SMILES for 1-fluoro-1-methyl-2H-siline is C[Si]1(F)C=CC=CC1.
What is the InChIKey of 1-fluoro-1-methyl-2H-siline?
The InChIKey is LZSBVMKSIGRGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FSi/c1-8(7)5-3-2-4-6-8/h2-5H,6H2,1H3.
What are the key properties of 1-fluoro-1-methyl-2H-siline?
1-fluoro-1-methyl-2H-siline has a molecular weight of 128.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methyl-2H-siline is sourced from PubChem (CID 54142929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).