3-[1-fluorobutyl(dimethyl)silyl]oxypropanal

C9H19FO2Si — CID 87717708

IUPAC3-[1-fluorobutyl(dimethyl)silyl]oxypropanal
SMILESCCCC(F)[Si](C)(C)OCCC=O
InChIInChI=1S/C9H19FO2Si/c1-4-6-9(10)13(2,3)12-8-5-7-11/h7,9H,4-6,8H2,1-3H3
InChIKeyHDLOJLVBZAQGTO-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.47
Rot. Bonds7

About 3-[1-fluorobutyl(dimethyl)silyl]oxypropanal

3-[1-fluorobutyl(dimethyl)silyl]oxypropanal (PubChem CID 87717708) has the molecular formula C9H19FO2Si and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-[1-fluorobutyl(dimethyl)silyl]oxypropanal.

Molecular Properties

Compound Name3-[1-fluorobutyl(dimethyl)silyl]oxypropanal
PubChem CID87717708
Molecular FormulaC9H19FO2Si
Molecular Weight206.33 g/mol
Exact Mass206.11
IUPAC Name3-[1-fluorobutyl(dimethyl)silyl]oxypropanal
SMILESCCCC(F)[Si](C)(C)OCCC=O
InChIInChI=1S/C9H19FO2Si/c1-4-6-9(10)13(2,3)12-8-5-7-11/h7,9H,4-6,8H2,1-3H3
InChIKeyHDLOJLVBZAQGTO-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 3-[1-fluorobutyl(dimethyl)silyl]oxypropanal?
The IUPAC name of 3-[1-fluorobutyl(dimethyl)silyl]oxypropanal (CID 87717708) is 3-[1-fluorobutyl(dimethyl)silyl]oxypropanal.
What is the SMILES notation for 3-[1-fluorobutyl(dimethyl)silyl]oxypropanal?
The canonical SMILES for 3-[1-fluorobutyl(dimethyl)silyl]oxypropanal is CCCC(F)[Si](C)(C)OCCC=O.
What is the InChIKey of 3-[1-fluorobutyl(dimethyl)silyl]oxypropanal?
The InChIKey is HDLOJLVBZAQGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO2Si/c1-4-6-9(10)13(2,3)12-8-5-7-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 3-[1-fluorobutyl(dimethyl)silyl]oxypropanal?
3-[1-fluorobutyl(dimethyl)silyl]oxypropanal has a molecular weight of 206.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluorobutyl(dimethyl)silyl]oxypropanal is sourced from PubChem (CID 87717708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).