2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane

C8H5F9O2 — CID 150689805

IUPAC2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane
SMILESFC(OCC1CO1)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F9O2/c9-4(5(10)19-2-3-1-18-3)6(11,12)7(13,14)8(15,16)17/h3H,1-2H2
InChIKeyJJQGUQJWJNTELY-UHFFFAOYSA-N
MW304.11 g/mol
LogP3.34
Rot. Bonds5

About 2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane

2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane (PubChem CID 150689805) has the molecular formula C8H5F9O2 and a molecular weight of 304.11 g/mol. Its IUPAC name is 2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane
PubChem CID150689805
Molecular FormulaC8H5F9O2
Molecular Weight304.11 g/mol
Exact Mass304.01
IUPAC Name2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane
SMILESFC(OCC1CO1)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F9O2/c9-4(5(10)19-2-3-1-18-3)6(11,12)7(13,14)8(15,16)17/h3H,1-2H2
InChIKeyJJQGUQJWJNTELY-UHFFFAOYSA-N
XLogP3.34
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 58612472
2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane
CID 58612478
2-(2,3,3,3-Tetrafluoroprop-1-enoxymethyl)oxirane
CID 76837658
2-Pentafluoropropenyloxymethyl-oxirane
CID 76837663
2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 87924656
2-[[(Z)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane
CID 87924675
2-(2,3,4,4,4-Pentafluoro-1,3-bis-trifluoromethyl-but-1-enyloxymethyl)-oxirane
CID 131738211
2-[2,2,2-Trifluoro-1-[3,3,4,4,4-pentafluoro-2-(trifluoromethyl)but-1-enoxy]ethyl]oxirane
CID 139908397

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane?
The IUPAC name of 2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane (CID 150689805) is 2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane?
The canonical SMILES for 2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane is FC(OCC1CO1)=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane?
The InChIKey is JJQGUQJWJNTELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9O2/c9-4(5(10)19-2-3-1-18-3)6(11,12)7(13,14)8(15,16)17/h3H,1-2H2.
What are the key properties of 2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane?
2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane has a molecular weight of 304.11 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxymethyl)oxirane is sourced from PubChem (CID 150689805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).