8-fluorooctyl methyl carbonate

C10H19FO3 — CID 22123714

IUPAC8-fluorooctyl methyl carbonate
SMILESCOC(=O)OCCCCCCCCF
InChIInChI=1S/C10H19FO3/c1-13-10(12)14-9-7-5-3-2-4-6-8-11/h2-9H2,1H3
InChIKeyXCJOXMAWLDEAPP-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.08
Rot. Bonds8

About 8-fluorooctyl methyl carbonate

8-fluorooctyl methyl carbonate (PubChem CID 22123714) has the molecular formula C10H19FO3 and a molecular weight of 206.26 g/mol. Its IUPAC name is 8-fluorooctyl methyl carbonate.

Molecular Properties

Compound Name8-fluorooctyl methyl carbonate
PubChem CID22123714
Molecular FormulaC10H19FO3
Molecular Weight206.26 g/mol
Exact Mass206.13
IUPAC Name8-fluorooctyl methyl carbonate
SMILESCOC(=O)OCCCCCCCCF
InChIInChI=1S/C10H19FO3/c1-13-10(12)14-9-7-5-3-2-4-6-8-11/h2-9H2,1H3
InChIKeyXCJOXMAWLDEAPP-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluorooctyl methyl carbonate?
The IUPAC name of 8-fluorooctyl methyl carbonate (CID 22123714) is 8-fluorooctyl methyl carbonate.
What is the SMILES notation for 8-fluorooctyl methyl carbonate?
The canonical SMILES for 8-fluorooctyl methyl carbonate is COC(=O)OCCCCCCCCF.
What is the InChIKey of 8-fluorooctyl methyl carbonate?
The InChIKey is XCJOXMAWLDEAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO3/c1-13-10(12)14-9-7-5-3-2-4-6-8-11/h2-9H2,1H3.
What are the key properties of 8-fluorooctyl methyl carbonate?
8-fluorooctyl methyl carbonate has a molecular weight of 206.26 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorooctyl methyl carbonate is sourced from PubChem (CID 22123714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).