2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane

C10H9F9O — CID 175157793

IUPAC2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane
SMILESFC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C=CCC1CO1
InChIInChI=1S/C10H9F9O/c11-7(12,3-1-2-6-4-20-6)10(18,19)8(13,14)5-9(15,16)17/h1,3,6H,2,4-5H2
InChIKeyMHUBTTWINQIHIZ-UHFFFAOYSA-N
MW316.16 g/mol
LogP4.19
Rot. Bonds6

About 2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane

2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane (PubChem CID 175157793) has the molecular formula C10H9F9O and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane.

Molecular Properties

Compound Name2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane
PubChem CID175157793
Molecular FormulaC10H9F9O
Molecular Weight316.16 g/mol
Exact Mass316.05
IUPAC Name2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane
SMILESFC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C=CCC1CO1
InChIInChI=1S/C10H9F9O/c11-7(12,3-1-2-6-4-20-6)10(18,19)8(13,14)5-9(15,16)17/h1,3,6H,2,4-5H2
InChIKeyMHUBTTWINQIHIZ-UHFFFAOYSA-N
XLogP4.19
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane?
The IUPAC name of 2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane (CID 175157793) is 2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane.
What is the SMILES notation for 2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane?
The canonical SMILES for 2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane is FC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C=CCC1CO1.
What is the InChIKey of 2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane?
The InChIKey is MHUBTTWINQIHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F9O/c11-7(12,3-1-2-6-4-20-6)10(18,19)8(13,14)5-9(15,16)17/h1,3,6H,2,4-5H2.
What are the key properties of 2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane?
2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane has a molecular weight of 316.16 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5,6,6,8,8,8-nonafluorooct-2-enyl)oxirane is sourced from PubChem (CID 175157793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).