2-(1-fluorooctyl)-2-methyloxasilinane

C13H27FOSi — CID 67353077

IUPAC2-(1-fluorooctyl)-2-methyloxasilinane
SMILESCCCCCCCC(F)[Si]1(C)CCCCO1
InChIInChI=1S/C13H27FOSi/c1-3-4-5-6-7-10-13(14)16(2)12-9-8-11-15-16/h13H,3-12H2,1-2H3
InChIKeyFSEHBRYDKDLCQT-UHFFFAOYSA-N
MW246.44 g/mol
LogP4.61
Rot. Bonds7

About 2-(1-fluorooctyl)-2-methyloxasilinane

2-(1-fluorooctyl)-2-methyloxasilinane (PubChem CID 67353077) has the molecular formula C13H27FOSi and a molecular weight of 246.44 g/mol. Its IUPAC name is 2-(1-fluorooctyl)-2-methyloxasilinane.

Molecular Properties

Compound Name2-(1-fluorooctyl)-2-methyloxasilinane
PubChem CID67353077
Molecular FormulaC13H27FOSi
Molecular Weight246.44 g/mol
Exact Mass246.18
IUPAC Name2-(1-fluorooctyl)-2-methyloxasilinane
SMILESCCCCCCCC(F)[Si]1(C)CCCCO1
InChIInChI=1S/C13H27FOSi/c1-3-4-5-6-7-10-13(14)16(2)12-9-8-11-15-16/h13H,3-12H2,1-2H3
InChIKeyFSEHBRYDKDLCQT-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-fluorooctyl)-2-methyloxasilinane?
The IUPAC name of 2-(1-fluorooctyl)-2-methyloxasilinane (CID 67353077) is 2-(1-fluorooctyl)-2-methyloxasilinane.
What is the SMILES notation for 2-(1-fluorooctyl)-2-methyloxasilinane?
The canonical SMILES for 2-(1-fluorooctyl)-2-methyloxasilinane is CCCCCCCC(F)[Si]1(C)CCCCO1.
What is the InChIKey of 2-(1-fluorooctyl)-2-methyloxasilinane?
The InChIKey is FSEHBRYDKDLCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FOSi/c1-3-4-5-6-7-10-13(14)16(2)12-9-8-11-15-16/h13H,3-12H2,1-2H3.
What are the key properties of 2-(1-fluorooctyl)-2-methyloxasilinane?
2-(1-fluorooctyl)-2-methyloxasilinane has a molecular weight of 246.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorooctyl)-2-methyloxasilinane is sourced from PubChem (CID 67353077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).