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

C7H7F7O — CID 58107265

IUPAC2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane
SMILESFC(F)(F)C(F)(CCC1CO1)C(F)(F)F
InChIInChI=1S/C7H7F7O/c8-5(6(9,10)11,7(12,13)14)2-1-4-3-15-4/h4H,1-3H2
InChIKeyALKAYFBZJZZRHW-UHFFFAOYSA-N
MW240.12 g/mol
LogP3.00
Rot. Bonds3

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

2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane (PubChem CID 58107265) has the molecular formula C7H7F7O and a molecular weight of 240.12 g/mol. Its IUPAC name is 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane.

Molecular Properties

Compound Name2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane
PubChem CID58107265
Molecular FormulaC7H7F7O
Molecular Weight240.12 g/mol
Exact Mass240.04
IUPAC Name2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane
SMILESFC(F)(F)C(F)(CCC1CO1)C(F)(F)F
InChIInChI=1S/C7H7F7O/c8-5(6(9,10)11,7(12,13)14)2-1-4-3-15-4/h4H,1-3H2
InChIKeyALKAYFBZJZZRHW-UHFFFAOYSA-N
XLogP3.00
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,2,3,3,4,4,4-Heptafluorobutyl)oxirane
CID 2774886
[2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propyl]oxirane
CID 4200740
2-[2,2,3,3,4,5,5,5-Octafluoro-4-(trifluoromethyl)pentyl]oxirane
CID 2776200
(Perfluorobutyl)methyloxirane
CID 89279490
2-Methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
CID 12561590
2-[2,3,3,4,4,4-Hexafluoro-2-(trifluoromethyl)butyl]oxirane
CID 2775048
2-(2,2,3,4,4,4-Hexafluoro-3-methylbutyl)oxirane
CID 18702689
2-[2,3,3,3-Tetrafluoro-2-(fluoromethyl)propyl]oxirane
CID 53913702
2-[2,2,3,4,4,5,5,6,6,7,7,7-Dodecafluoro-3-(trifluoromethyl)heptyl]oxirane
CID 53927621
2-[2,2,3,4,4,5,5,5-Octafluoro-3-(trifluoromethyl)pentyl]oxirane
CID 54047447
2-[2,2,3,4,4,4-Hexafluoro-3-(trifluoromethyl)butyl]oxirane
CID 54131184
2-(2,2,4,4,4-Pentafluorobutyl)oxirane
CID 57890862

Frequently Asked Questions

What is the IUPAC name of 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane?
The IUPAC name of 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane (CID 58107265) is 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane.
What is the SMILES notation for 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane?
The canonical SMILES for 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane is FC(F)(F)C(F)(CCC1CO1)C(F)(F)F.
What is the InChIKey of 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane?
The InChIKey is ALKAYFBZJZZRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O/c8-5(6(9,10)11,7(12,13)14)2-1-4-3-15-4/h4H,1-3H2.
What are the key properties of 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane?
2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane has a molecular weight of 240.12 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]oxirane is sourced from PubChem (CID 58107265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).