1-[fluoro(dimethyl)silyl]hexyl acetate

C10H21FO2Si — CID 10560911

IUPAC1-[fluoro(dimethyl)silyl]hexyl acetate
SMILESCCCCCC(OC(C)=O)[Si](C)(C)F
InChIInChI=1S/C10H21FO2Si/c1-5-6-7-8-10(13-9(2)12)14(3,4)11/h10H,5-8H2,1-4H3
InChIKeyLBMYPNRBFUCUDC-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.21
Rot. Bonds6

About 1-[fluoro(dimethyl)silyl]hexyl acetate

1-[fluoro(dimethyl)silyl]hexyl acetate (PubChem CID 10560911) has the molecular formula C10H21FO2Si and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-[fluoro(dimethyl)silyl]hexyl acetate.

Molecular Properties

Compound Name1-[fluoro(dimethyl)silyl]hexyl acetate
PubChem CID10560911
Molecular FormulaC10H21FO2Si
Molecular Weight220.36 g/mol
Exact Mass220.13
IUPAC Name1-[fluoro(dimethyl)silyl]hexyl acetate
SMILESCCCCCC(OC(C)=O)[Si](C)(C)F
InChIInChI=1S/C10H21FO2Si/c1-5-6-7-8-10(13-9(2)12)14(3,4)11/h10H,5-8H2,1-4H3
InChIKeyLBMYPNRBFUCUDC-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.21
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 1-[fluoro(dimethyl)silyl]hexyl acetate?
The IUPAC name of 1-[fluoro(dimethyl)silyl]hexyl acetate (CID 10560911) is 1-[fluoro(dimethyl)silyl]hexyl acetate.
What is the SMILES notation for 1-[fluoro(dimethyl)silyl]hexyl acetate?
The canonical SMILES for 1-[fluoro(dimethyl)silyl]hexyl acetate is CCCCCC(OC(C)=O)[Si](C)(C)F.
What is the InChIKey of 1-[fluoro(dimethyl)silyl]hexyl acetate?
The InChIKey is LBMYPNRBFUCUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO2Si/c1-5-6-7-8-10(13-9(2)12)14(3,4)11/h10H,5-8H2,1-4H3.
What are the key properties of 1-[fluoro(dimethyl)silyl]hexyl acetate?
1-[fluoro(dimethyl)silyl]hexyl acetate has a molecular weight of 220.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(dimethyl)silyl]hexyl acetate is sourced from PubChem (CID 10560911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).