cumene;hydroxy hypofluorite

C9H13FO2 — CID 175445754

IUPACcumene;hydroxy hypofluorite
SMILESCC(C)c1ccccc1.OOF
InChIInChI=1S/C9H12.FHO2/c1-8(2)9-6-4-3-5-7-9;1-3-2/h3-8H,1-2H3;2H
InChIKeyOBPYQRGTHYKGQJ-UHFFFAOYSA-N
MW172.20 g/mol
LogP3.17
Rot. Bonds1

About cumene;hydroxy hypofluorite

cumene;hydroxy hypofluorite (PubChem CID 175445754) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is cumene;hydroxy hypofluorite.

Molecular Properties

Compound Namecumene;hydroxy hypofluorite
PubChem CID175445754
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Namecumene;hydroxy hypofluorite
SMILESCC(C)c1ccccc1.OOF
InChIInChI=1S/C9H12.FHO2/c1-8(2)9-6-4-3-5-7-9;1-3-2/h3-8H,1-2H3;2H
InChIKeyOBPYQRGTHYKGQJ-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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cumene;zinc
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CID 161044029
CID 160506105
CID 160506105

Frequently Asked Questions

What is the IUPAC name of cumene;hydroxy hypofluorite?
The IUPAC name of cumene;hydroxy hypofluorite (CID 175445754) is cumene;hydroxy hypofluorite.
What is the SMILES notation for cumene;hydroxy hypofluorite?
The canonical SMILES for cumene;hydroxy hypofluorite is CC(C)c1ccccc1.OOF.
What is the InChIKey of cumene;hydroxy hypofluorite?
The InChIKey is OBPYQRGTHYKGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.FHO2/c1-8(2)9-6-4-3-5-7-9;1-3-2/h3-8H,1-2H3;2H.
What are the key properties of cumene;hydroxy hypofluorite?
cumene;hydroxy hypofluorite has a molecular weight of 172.20 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;hydroxy hypofluorite is sourced from PubChem (CID 175445754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).