4-(3,3-difluorobutylperoxy)oxane

C9H16F2O3 — CID 151377241

IUPAC4-(3,3-difluorobutylperoxy)oxane
SMILESCC(F)(F)CCOOC1CCOCC1
InChIInChI=1S/C9H16F2O3/c1-9(10,11)4-7-13-14-8-2-5-12-6-3-8/h8H,2-7H2,1H3
InChIKeyORQVHJLFDVZFHG-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.16
Rot. Bonds5

About 4-(3,3-difluorobutylperoxy)oxane

4-(3,3-difluorobutylperoxy)oxane (PubChem CID 151377241) has the molecular formula C9H16F2O3 and a molecular weight of 210.22 g/mol. Its IUPAC name is 4-(3,3-difluorobutylperoxy)oxane.

Molecular Properties

Compound Name4-(3,3-difluorobutylperoxy)oxane
PubChem CID151377241
Molecular FormulaC9H16F2O3
Molecular Weight210.22 g/mol
Exact Mass210.11
IUPAC Name4-(3,3-difluorobutylperoxy)oxane
SMILESCC(F)(F)CCOOC1CCOCC1
InChIInChI=1S/C9H16F2O3/c1-9(10,11)4-7-13-14-8-2-5-12-6-3-8/h8H,2-7H2,1H3
InChIKeyORQVHJLFDVZFHG-UHFFFAOYSA-N
XLogP2.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.16
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

2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid
CID 65248373
1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol
CID 64819646
2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid
CID 65259719
2-methyl-2-(methylamino)-4-(oxan-4-yloxy)butan-1-ol
CID 64809766
2,2,2-trifluoro-N-[2-(oxan-4-yloxy)ethyl]ethanamine
CID 62584985
2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol
CID 64810792
butylperoxycyclopropane
CID 154255203
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
4-propylperoxy-1,1-bis(2,4,4-trimethylpentan-2-yl)cyclohexane
CID 172745778
4-(2,2-dideuterio-4,4-dimethylpentyl)oxane
CID 118901717
oxan-4-yl trifluoromethanesulfonate
CID 22736208
3-(trifluoromethoxy)oxolane
CID 89404846

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutylperoxy)oxane?
The IUPAC name of 4-(3,3-difluorobutylperoxy)oxane (CID 151377241) is 4-(3,3-difluorobutylperoxy)oxane.
What is the SMILES notation for 4-(3,3-difluorobutylperoxy)oxane?
The canonical SMILES for 4-(3,3-difluorobutylperoxy)oxane is CC(F)(F)CCOOC1CCOCC1.
What is the InChIKey of 4-(3,3-difluorobutylperoxy)oxane?
The InChIKey is ORQVHJLFDVZFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O3/c1-9(10,11)4-7-13-14-8-2-5-12-6-3-8/h8H,2-7H2,1H3.
What are the key properties of 4-(3,3-difluorobutylperoxy)oxane?
4-(3,3-difluorobutylperoxy)oxane has a molecular weight of 210.22 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutylperoxy)oxane is sourced from PubChem (CID 151377241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).