2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane

C12H14F8O4 — CID 176897353

IUPAC2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane
SMILESFC(F)(CCOCC1CO1)C(F)(F)C(F)(F)C(F)(F)OCC1CO1
InChIInChI=1S/C12H14F8O4/c13-9(14,1-2-21-3-7-4-22-7)10(15,16)11(17,18)12(19,20)24-6-8-5-23-8/h7-8H,1-6H2
InChIKeyFCULPLXUPVEURR-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.71
Rot. Bonds11

About 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane

2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane (PubChem CID 176897353) has the molecular formula C12H14F8O4 and a molecular weight of 374.22 g/mol. Its IUPAC name is 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane
PubChem CID176897353
Molecular FormulaC12H14F8O4
Molecular Weight374.22 g/mol
Exact Mass374.08
IUPAC Name2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane
SMILESFC(F)(CCOCC1CO1)C(F)(F)C(F)(F)C(F)(F)OCC1CO1
InChIInChI=1S/C12H14F8O4/c13-9(14,1-2-21-3-7-4-22-7)10(15,16)11(17,18)12(19,20)24-6-8-5-23-8/h7-8H,1-6H2
InChIKeyFCULPLXUPVEURR-UHFFFAOYSA-N
XLogP2.71
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane with MolForge

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Related Compounds

2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononoxymethyl)oxirane
CID 141482094
2-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentacosafluorooctadecoxymethyl)oxirane
CID 14877773
(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane
CID 98041590
2-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorodecoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989518
4-(3,3,4,4,5,5,5-heptafluoropentoxymethyl)-1,3-dioxolan-2-one
CID 138625430
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-(oxiran-2-ylmethoxy)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-tetracosafluorotetradecoxy)propan-1-ol
CID 139989574
2-[[3-[3-[1,1-difluoro-3-(oxiran-2-ylmethoxy)propoxy]-2,2-bis[[2,2-difluoro-3-(oxiran-2-ylmethoxy)propoxy]methyl]-1,1,3,3-tetrafluoropropoxy]-3,3-difluoropropoxy]methyl]oxirane
CID 58122106
2-[[9-(oxiran-2-ylmethoxy)-5,5-bis[4-(oxiran-2-ylmethoxy)butyl]nonoxy]methyl]oxirane
CID 150577624
[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-[7-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]-4-[[7-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]-4-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propyl]-3,3-difluoro-4-methylheptoxy]-difluoromethyl]-4-methylheptyl]-dimethylsilane
CID 174150387
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038

Frequently Asked Questions

What is the IUPAC name of 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane?
The IUPAC name of 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane (CID 176897353) is 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane.
What is the SMILES notation for 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane?
The canonical SMILES for 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane is FC(F)(CCOCC1CO1)C(F)(F)C(F)(F)C(F)(F)OCC1CO1.
What is the InChIKey of 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane?
The InChIKey is FCULPLXUPVEURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F8O4/c13-9(14,1-2-21-3-7-4-22-7)10(15,16)11(17,18)12(19,20)24-6-8-5-23-8/h7-8H,1-6H2.
What are the key properties of 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane?
2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane has a molecular weight of 374.22 g/mol, XLogP of 2.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,1,2,2,3,3,4,4-octafluoro-6-(oxiran-2-ylmethoxy)hexoxy]methyl]oxirane is sourced from PubChem (CID 176897353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).