2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane

C6H3F9O — CID 2775804

IUPAC2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CO1
InChIInChI=1S/C6H3F9O/c7-3(8,2-1-16-2)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKeyQHHCBVYZWRKFLZ-UHFFFAOYSA-N
MW262.07 g/mol
LogP2.85
Rot. Bonds3

About 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane

2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane (PubChem CID 2775804) has the molecular formula C6H3F9O and a molecular weight of 262.07 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane
PubChem CID2775804
Molecular FormulaC6H3F9O
Molecular Weight262.07 g/mol
Exact Mass262.00
IUPAC Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CO1
InChIInChI=1S/C6H3F9O/c7-3(8,2-1-16-2)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKeyQHHCBVYZWRKFLZ-UHFFFAOYSA-N
XLogP2.85
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane (CID 2775804) is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CO1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane?
The InChIKey is QHHCBVYZWRKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9O/c7-3(8,2-1-16-2)4(9,10)5(11,12)6(13,14)15/h2H,1H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane?
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane has a molecular weight of 262.07 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane is sourced from PubChem (CID 2775804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).