2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde

C12H23FOSi — CID 154079934

IUPAC2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde
SMILESCC(F)CCC[SiH]1CCC(CC=O)CC1
InChIInChI=1S/C12H23FOSi/c1-11(13)3-2-8-15-9-5-12(4-7-14)6-10-15/h7,11-12,15H,2-6,8-10H2,1H3
InChIKeyPPQDRZOSEMPBQB-UHFFFAOYSA-N
MW230.40 g/mol
LogP3.35
Rot. Bonds6

About 2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde

2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde (PubChem CID 154079934) has the molecular formula C12H23FOSi and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde
PubChem CID154079934
Molecular FormulaC12H23FOSi
Molecular Weight230.40 g/mol
Exact Mass230.15
IUPAC Name2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde
SMILESCC(F)CCC[SiH]1CCC(CC=O)CC1
InChIInChI=1S/C12H23FOSi/c1-11(13)3-2-8-15-9-5-12(4-7-14)6-10-15/h7,11-12,15H,2-6,8-10H2,1H3
InChIKeyPPQDRZOSEMPBQB-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 53.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde?
The IUPAC name of 2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde (CID 154079934) is 2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde is CC(F)CCC[SiH]1CCC(CC=O)CC1.
What is the InChIKey of 2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde?
The InChIKey is PPQDRZOSEMPBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FOSi/c1-11(13)3-2-8-15-9-5-12(4-7-14)6-10-15/h7,11-12,15H,2-6,8-10H2,1H3.
What are the key properties of 2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde?
2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde has a molecular weight of 230.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoropentyl)silinan-4-yl]acetaldehyde is sourced from PubChem (CID 154079934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).