2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde

C8H17FO2Si — CID 87717537

IUPAC2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde
SMILESCCCC(F)[Si](C)(C)OCC=O
InChIInChI=1S/C8H17FO2Si/c1-4-5-8(9)12(2,3)11-7-6-10/h6,8H,4-5,7H2,1-3H3
InChIKeyAAFFKYJMRMOWOV-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.08
Rot. Bonds6

About 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde

2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde (PubChem CID 87717537) has the molecular formula C8H17FO2Si and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde
PubChem CID87717537
Molecular FormulaC8H17FO2Si
Molecular Weight192.31 g/mol
Exact Mass192.10
IUPAC Name2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde
SMILESCCCC(F)[Si](C)(C)OCC=O
InChIInChI=1S/C8H17FO2Si/c1-4-5-8(9)12(2,3)11-7-6-10/h6,8H,4-5,7H2,1-3H3
InChIKeyAAFFKYJMRMOWOV-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde?
The IUPAC name of 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde (CID 87717537) is 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde.
What is the SMILES notation for 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde?
The canonical SMILES for 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde is CCCC(F)[Si](C)(C)OCC=O.
What is the InChIKey of 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde?
The InChIKey is AAFFKYJMRMOWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO2Si/c1-4-5-8(9)12(2,3)11-7-6-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde?
2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde has a molecular weight of 192.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluorobutyl(dimethyl)silyl]oxyacetaldehyde is sourced from PubChem (CID 87717537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).