fluoro hexaneperoxoate

C6H11FO3 — CID 172718987

IUPACfluoro hexaneperoxoate
SMILESCCCCCC(=O)OOF
InChIInChI=1S/C6H11FO3/c1-2-3-4-5-6(8)9-10-7/h2-5H2,1H3
InChIKeyGGAWDHVBKCEPRD-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.93
Rot. Bonds5

About fluoro hexaneperoxoate

fluoro hexaneperoxoate (PubChem CID 172718987) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is fluoro hexaneperoxoate.

Molecular Properties

Compound Namefluoro hexaneperoxoate
PubChem CID172718987
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Namefluoro hexaneperoxoate
SMILESCCCCCC(=O)OOF
InChIInChI=1S/C6H11FO3/c1-2-3-4-5-6(8)9-10-7/h2-5H2,1H3
InChIKeyGGAWDHVBKCEPRD-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
octanoyl tridecaneperoxoate
CID 141014591
butanoyl octaneperoxoate
CID 155389347
undecanoyloxy undecaneperoxoate
CID 88844001
propanoyl dodecaneperoxoate
CID 88596729
azane;fluoro decanoate;fluoro octanoate
CID 174327496
dodecanoyl dodecaneperoxoate;propan-2-ol
CID 174989441
amino nonaneperoxoate
CID 174849727
acetyl ethaneperoxoate;decanoyl decaneperoxoate;dodecanoyl dodecaneperoxoate
CID 159864612
acetyl decaneperoxoate
CID 18943120
stibanyl heptanoate
CID 174839221

Frequently Asked Questions

What is the IUPAC name of fluoro hexaneperoxoate?
The IUPAC name of fluoro hexaneperoxoate (CID 172718987) is fluoro hexaneperoxoate.
What is the SMILES notation for fluoro hexaneperoxoate?
The canonical SMILES for fluoro hexaneperoxoate is CCCCCC(=O)OOF.
What is the InChIKey of fluoro hexaneperoxoate?
The InChIKey is GGAWDHVBKCEPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-2-3-4-5-6(8)9-10-7/h2-5H2,1H3.
What are the key properties of fluoro hexaneperoxoate?
fluoro hexaneperoxoate has a molecular weight of 150.15 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro hexaneperoxoate is sourced from PubChem (CID 172718987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).