2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde

C11H20F2OSi — CID 154079929

IUPAC2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde
SMILESO=CCC1CC[SiH](CCCC(F)F)CC1
InChIInChI=1S/C11H20F2OSi/c12-11(13)2-1-7-15-8-4-10(3-6-14)5-9-15/h6,10-11,15H,1-5,7-9H2
InChIKeyGIKGLDQMTXKVLH-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.26
Rot. Bonds6

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

2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde (PubChem CID 154079929) has the molecular formula C11H20F2OSi and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde
PubChem CID154079929
Molecular FormulaC11H20F2OSi
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde
SMILESO=CCC1CC[SiH](CCCC(F)F)CC1
InChIInChI=1S/C11H20F2OSi/c12-11(13)2-1-7-15-8-4-10(3-6-14)5-9-15/h6,10-11,15H,1-5,7-9H2
InChIKeyGIKGLDQMTXKVLH-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.26
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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Related Compounds

2-(1-Fluoro-1-propylsilinan-4-yl)acetaldehyde
CID 19690542
2-[1-(4-Fluoropentyl)silinan-4-yl]acetaldehyde
CID 154079934
2-(1-Methyl-1-propylsilinan-4-yl)acetaldehyde
CID 19690487
2-(1-Pentylsilinan-4-yl)acetaldehyde
CID 123802534
2-[1-(3-Methylbutyl)silinan-4-yl]acetaldehyde
CID 154079935
2-(1-Propylsilinan-4-yl)acetaldehyde
CID 154079942
CID 11063763
CID 11063763

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde?
The IUPAC name of 2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde (CID 154079929) is 2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde is O=CCC1CC[SiH](CCCC(F)F)CC1.
What is the InChIKey of 2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde?
The InChIKey is GIKGLDQMTXKVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2OSi/c12-11(13)2-1-7-15-8-4-10(3-6-14)5-9-15/h6,10-11,15H,1-5,7-9H2.
What are the key properties of 2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde?
2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde has a molecular weight of 234.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-difluorobutyl)silinan-4-yl]acetaldehyde is sourced from PubChem (CID 154079929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).