1-fluoro-6-trimethylsilylhex-4-yn-2-ol

C9H17FOSi — CID 166443618

IUPAC1-fluoro-6-trimethylsilylhex-4-yn-2-ol
SMILESC[Si](C)(C)CC#CCC(O)CF
InChIInChI=1S/C9H17FOSi/c1-12(2,3)7-5-4-6-9(11)8-10/h9,11H,6-8H2,1-3H3
InChIKeyCJFVMBBBIOMYJH-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.05
Rot. Bonds3

About 1-fluoro-6-trimethylsilylhex-4-yn-2-ol

1-fluoro-6-trimethylsilylhex-4-yn-2-ol (PubChem CID 166443618) has the molecular formula C9H17FOSi and a molecular weight of 188.32 g/mol. Its IUPAC name is 1-fluoro-6-trimethylsilylhex-4-yn-2-ol.

Molecular Properties

Compound Name1-fluoro-6-trimethylsilylhex-4-yn-2-ol
PubChem CID166443618
Molecular FormulaC9H17FOSi
Molecular Weight188.32 g/mol
Exact Mass188.10
IUPAC Name1-fluoro-6-trimethylsilylhex-4-yn-2-ol
SMILESC[Si](C)(C)CC#CCC(O)CF
InChIInChI=1S/C9H17FOSi/c1-12(2,3)7-5-4-6-9(11)8-10/h9,11H,6-8H2,1-3H3
InChIKeyCJFVMBBBIOMYJH-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-trimethylsilylhex-4-yn-2-ol?
The IUPAC name of 1-fluoro-6-trimethylsilylhex-4-yn-2-ol (CID 166443618) is 1-fluoro-6-trimethylsilylhex-4-yn-2-ol.
What is the SMILES notation for 1-fluoro-6-trimethylsilylhex-4-yn-2-ol?
The canonical SMILES for 1-fluoro-6-trimethylsilylhex-4-yn-2-ol is C[Si](C)(C)CC#CCC(O)CF.
What is the InChIKey of 1-fluoro-6-trimethylsilylhex-4-yn-2-ol?
The InChIKey is CJFVMBBBIOMYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FOSi/c1-12(2,3)7-5-4-6-9(11)8-10/h9,11H,6-8H2,1-3H3.
What are the key properties of 1-fluoro-6-trimethylsilylhex-4-yn-2-ol?
1-fluoro-6-trimethylsilylhex-4-yn-2-ol has a molecular weight of 188.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-trimethylsilylhex-4-yn-2-ol is sourced from PubChem (CID 166443618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).