2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane

C13H5F15O2 — CID 59687219

IUPAC2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane
SMILESFC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C1(F)C(F)(F)C(OCC1CO1)(C2(F)F)C3(F)F
InChIInChI=1S/C13H5F15O2/c14-4-8(17,18)5(15)10(21,22)6(16,9(4,19)20)13(27,28)7(11(4,23)24,12(5,25)26)30-2-3-1-29-3/h3H,1-2H2
InChIKeyAOEFNQSGZOOCEU-UHFFFAOYSA-N
MW478.15 g/mol
LogP4.12
Rot. Bonds3

About 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane

2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane (PubChem CID 59687219) has the molecular formula C13H5F15O2 and a molecular weight of 478.15 g/mol. Its IUPAC name is 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane
PubChem CID59687219
Molecular FormulaC13H5F15O2
Molecular Weight478.15 g/mol
Exact Mass478.01
IUPAC Name2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane
SMILESFC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C1(F)C(F)(F)C(OCC1CO1)(C2(F)F)C3(F)F
InChIInChI=1S/C13H5F15O2/c14-4-8(17,18)5(15)10(21,22)6(16,9(4,19)20)13(27,28)7(11(4,23)24,12(5,25)26)30-2-3-1-29-3/h3H,1-2H2
InChIKeyAOEFNQSGZOOCEU-UHFFFAOYSA-N
XLogP4.12
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.15
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane with MolForge

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Related Compounds

2-[(1-methylcyclobutyl)oxymethyl]oxirane
CID 175392123
2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane
CID 23113216
2-[(1-ethylcyclobutyl)oxymethyl]oxirane
CID 175392110
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-[(1-ethylcyclohexyl)oxymethyl]oxirane
CID 19817909
(6R)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163672850
(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21139666
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-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-[(1-propa-1,2-dienylcyclohexyl)oxymethyl]oxirane
CID 101456886
methyl-tris(oxiran-2-ylmethoxy)silane
CID 22460133
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane?
The IUPAC name of 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane (CID 59687219) is 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane?
The canonical SMILES for 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane is FC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C1(F)C(F)(F)C(OCC1CO1)(C2(F)F)C3(F)F.
What is the InChIKey of 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane?
The InChIKey is AOEFNQSGZOOCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F15O2/c14-4-8(17,18)5(15)10(21,22)6(16,9(4,19)20)13(27,28)7(11(4,23)24,12(5,25)26)30-2-3-1-29-3/h3H,1-2H2.
What are the key properties of 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane?
2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane has a molecular weight of 478.15 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane is sourced from PubChem (CID 59687219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).