hexyl 3-trifluorosilylpropanoate

C9H17F3O2Si — CID 174136073

IUPAChexyl 3-trifluorosilylpropanoate
SMILESCCCCCCOC(=O)CC[Si](F)(F)F
InChIInChI=1S/C9H17F3O2Si/c1-2-3-4-5-7-14-9(13)6-8-15(10,11)12/h2-8H2,1H3
InChIKeyGFHQMKYVXYMAJW-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.35
Rot. Bonds8

About hexyl 3-trifluorosilylpropanoate

hexyl 3-trifluorosilylpropanoate (PubChem CID 174136073) has the molecular formula C9H17F3O2Si and a molecular weight of 242.31 g/mol. Its IUPAC name is hexyl 3-trifluorosilylpropanoate.

Molecular Properties

Compound Namehexyl 3-trifluorosilylpropanoate
PubChem CID174136073
Molecular FormulaC9H17F3O2Si
Molecular Weight242.31 g/mol
Exact Mass242.09
IUPAC Namehexyl 3-trifluorosilylpropanoate
SMILESCCCCCCOC(=O)CC[Si](F)(F)F
InChIInChI=1S/C9H17F3O2Si/c1-2-3-4-5-7-14-9(13)6-8-15(10,11)12/h2-8H2,1H3
InChIKeyGFHQMKYVXYMAJW-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 hexyl 3-trifluorosilylpropanoate?
The IUPAC name of hexyl 3-trifluorosilylpropanoate (CID 174136073) is hexyl 3-trifluorosilylpropanoate.
What is the SMILES notation for hexyl 3-trifluorosilylpropanoate?
The canonical SMILES for hexyl 3-trifluorosilylpropanoate is CCCCCCOC(=O)CC[Si](F)(F)F.
What is the InChIKey of hexyl 3-trifluorosilylpropanoate?
The InChIKey is GFHQMKYVXYMAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O2Si/c1-2-3-4-5-7-14-9(13)6-8-15(10,11)12/h2-8H2,1H3.
What are the key properties of hexyl 3-trifluorosilylpropanoate?
hexyl 3-trifluorosilylpropanoate has a molecular weight of 242.31 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 3-trifluorosilylpropanoate is sourced from PubChem (CID 174136073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).