2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane

C11H7F15O2 — CID 22715504

IUPAC2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)OCC1CO1
InChIInChI=1S/C11H7F15O2/c12-4(13)6(15,16)8(19,20)10(23,24)11(25,26)9(21,22)7(17,18)5(14)28-2-3-1-27-3/h3-5H,1-2H2
InChIKeyIFSMXWWQWAFWHC-UHFFFAOYSA-N
MW456.15 g/mol
LogP4.77
Rot. Bonds10

About 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane

2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane (PubChem CID 22715504) has the molecular formula C11H7F15O2 and a molecular weight of 456.15 g/mol. Its IUPAC name is 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane
PubChem CID22715504
Molecular FormulaC11H7F15O2
Molecular Weight456.15 g/mol
Exact Mass456.02
IUPAC Name2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)OCC1CO1
InChIInChI=1S/C11H7F15O2/c12-4(13)6(15,16)8(19,20)10(23,24)11(25,26)9(21,22)7(17,18)5(14)28-2-3-1-27-3/h3-5H,1-2H2
InChIKeyIFSMXWWQWAFWHC-UHFFFAOYSA-N
XLogP4.77
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.15
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane?
The IUPAC name of 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane (CID 22715504) is 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane.
What is the SMILES notation for 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane?
The canonical SMILES for 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)OCC1CO1.
What is the InChIKey of 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane?
The InChIKey is IFSMXWWQWAFWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F15O2/c12-4(13)6(15,16)8(19,20)10(23,24)11(25,26)9(21,22)7(17,18)5(14)28-2-3-1-27-3/h3-5H,1-2H2.
What are the key properties of 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane?
2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane has a molecular weight of 456.15 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane is sourced from PubChem (CID 22715504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).