2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane

C7H5F9O — CID 2775048

IUPAC2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane
SMILESFC(F)(F)C(F)(F)C(F)(CC1CO1)C(F)(F)F
InChIInChI=1S/C7H5F9O/c8-4(6(11,12)13,1-3-2-17-3)5(9,10)7(14,15)16/h3H,1-2H2
InChIKeySYBLPUZYAVFTTM-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.24
Rot. Bonds3

About 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane

2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane (PubChem CID 2775048) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane.

Molecular Properties

Compound Name2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane
PubChem CID2775048
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane
SMILESFC(F)(F)C(F)(F)C(F)(CC1CO1)C(F)(F)F
InChIInChI=1S/C7H5F9O/c8-4(6(11,12)13,1-3-2-17-3)5(9,10)7(14,15)16/h3H,1-2H2
InChIKeySYBLPUZYAVFTTM-UHFFFAOYSA-N
XLogP3.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.24
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-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane?
The IUPAC name of 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane (CID 2775048) is 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane.
What is the SMILES notation for 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane?
The canonical SMILES for 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane is FC(F)(F)C(F)(F)C(F)(CC1CO1)C(F)(F)F.
What is the InChIKey of 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane?
The InChIKey is SYBLPUZYAVFTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c8-4(6(11,12)13,1-3-2-17-3)5(9,10)7(14,15)16/h3H,1-2H2.
What are the key properties of 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane?
2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane has a molecular weight of 276.10 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]oxirane is sourced from PubChem (CID 2775048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).