5-(2-methylpropoxy)pentyl hypofluorite

C9H19FO2 — CID 59366597

IUPAC5-(2-methylpropoxy)pentyl hypofluorite
SMILESCC(C)COCCCCCOF
InChIInChI=1S/C9H19FO2/c1-9(2)8-11-6-4-3-5-7-12-10/h9H,3-8H2,1-2H3
InChIKeyMGXTXBRECQPQOM-UHFFFAOYSA-N
MW178.25 g/mol
LogP2.73
Rot. Bonds8

About 5-(2-methylpropoxy)pentyl hypofluorite

5-(2-methylpropoxy)pentyl hypofluorite (PubChem CID 59366597) has the molecular formula C9H19FO2 and a molecular weight of 178.25 g/mol. Its IUPAC name is 5-(2-methylpropoxy)pentyl hypofluorite.

Molecular Properties

Compound Name5-(2-methylpropoxy)pentyl hypofluorite
PubChem CID59366597
Molecular FormulaC9H19FO2
Molecular Weight178.25 g/mol
Exact Mass178.14
IUPAC Name5-(2-methylpropoxy)pentyl hypofluorite
SMILESCC(C)COCCCCCOF
InChIInChI=1S/C9H19FO2/c1-9(2)8-11-6-4-3-5-7-12-10/h9H,3-8H2,1-2H3
InChIKeyMGXTXBRECQPQOM-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(2-methylpropoxy)pentyl hypofluorite?
The IUPAC name of 5-(2-methylpropoxy)pentyl hypofluorite (CID 59366597) is 5-(2-methylpropoxy)pentyl hypofluorite.
What is the SMILES notation for 5-(2-methylpropoxy)pentyl hypofluorite?
The canonical SMILES for 5-(2-methylpropoxy)pentyl hypofluorite is CC(C)COCCCCCOF.
What is the InChIKey of 5-(2-methylpropoxy)pentyl hypofluorite?
The InChIKey is MGXTXBRECQPQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO2/c1-9(2)8-11-6-4-3-5-7-12-10/h9H,3-8H2,1-2H3.
What are the key properties of 5-(2-methylpropoxy)pentyl hypofluorite?
5-(2-methylpropoxy)pentyl hypofluorite has a molecular weight of 178.25 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)pentyl hypofluorite is sourced from PubChem (CID 59366597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).