1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane

C12H18F6O4 — CID 89000352

IUPAC1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane
SMILESCCOC(C)OC(C(F)(F)F)(C(F)(F)F)C1(OO)CCCC1
InChIInChI=1S/C12H18F6O4/c1-3-20-8(2)21-10(11(13,14)15,12(16,17)18)9(22-19)6-4-5-7-9/h8,19H,3-7H2,1-2H3
InChIKeyMWCBPSQAHHLNKK-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.05
Rot. Bonds6

About 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane

1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane (PubChem CID 89000352) has the molecular formula C12H18F6O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane.

Molecular Properties

Compound Name1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane
PubChem CID89000352
Molecular FormulaC12H18F6O4
Molecular Weight340.26 g/mol
Exact Mass340.11
IUPAC Name1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane
SMILESCCOC(C)OC(C(F)(F)F)(C(F)(F)F)C1(OO)CCCC1
InChIInChI=1S/C12H18F6O4/c1-3-20-8(2)21-10(11(13,14)15,12(16,17)18)9(22-19)6-4-5-7-9/h8,19H,3-7H2,1-2H3
InChIKeyMWCBPSQAHHLNKK-UHFFFAOYSA-N
XLogP4.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1,1,1,3,3,3-Hexafluoro-2-(1-hydroperoxycyclopentyl)propan-2-yl]oxy-2-methylpropan-1-ol
CID 89000353
1-[2-(1-Ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclohexane
CID 89000378
[1-[1,1,1,3,3,3-Hexafluoro-2-(1-hydroperoxycyclopentyl)propan-2-yl]oxy-2-methylpropoxy]cyclohexane
CID 89000379

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane?
The IUPAC name of 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane (CID 89000352) is 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane.
What is the SMILES notation for 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane?
The canonical SMILES for 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane is CCOC(C)OC(C(F)(F)F)(C(F)(F)F)C1(OO)CCCC1.
What is the InChIKey of 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane?
The InChIKey is MWCBPSQAHHLNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O4/c1-3-20-8(2)21-10(11(13,14)15,12(16,17)18)9(22-19)6-4-5-7-9/h8,19H,3-7H2,1-2H3.
What are the key properties of 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane?
1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane has a molecular weight of 340.26 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclopentane is sourced from PubChem (CID 89000352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).