2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde

C10H19FOSi — CID 19690542

IUPAC2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde
SMILESCCC[Si]1(F)CCC(CC=O)CC1
InChIInChI=1S/C10H19FOSi/c1-2-7-13(11)8-4-10(3-6-12)5-9-13/h6,10H,2-5,7-9H2,1H3
InChIKeyRXWGWJWCTACHDO-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.31
Rot. Bonds4

About 2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde

2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde (PubChem CID 19690542) has the molecular formula C10H19FOSi and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde
PubChem CID19690542
Molecular FormulaC10H19FOSi
Molecular Weight202.34 g/mol
Exact Mass202.12
IUPAC Name2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde
SMILESCCC[Si]1(F)CCC(CC=O)CC1
InChIInChI=1S/C10H19FOSi/c1-2-7-13(11)8-4-10(3-6-12)5-9-13/h6,10H,2-5,7-9H2,1H3
InChIKeyRXWGWJWCTACHDO-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde?
The IUPAC name of 2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde (CID 19690542) is 2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde?
The canonical SMILES for 2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde is CCC[Si]1(F)CCC(CC=O)CC1.
What is the InChIKey of 2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde?
The InChIKey is RXWGWJWCTACHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FOSi/c1-2-7-13(11)8-4-10(3-6-12)5-9-13/h6,10H,2-5,7-9H2,1H3.
What are the key properties of 2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde?
2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde has a molecular weight of 202.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-1-propylsilinan-4-yl)acetaldehyde is sourced from PubChem (CID 19690542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).