1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane

C8HF15O — CID 166486265

IUPAC1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane
SMILESFC(=COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8HF15O/c9-2(3(10,11)12)1-24-4(6(15,16)17,7(18,19)20)5(13,14)8(21,22)23/h1H
InChIKeyKOVJOPPBAYRBEE-UHFFFAOYSA-N
MW398.07 g/mol
LogP5.44
Rot. Bonds3

About 1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane

1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane (PubChem CID 166486265) has the molecular formula C8HF15O and a molecular weight of 398.07 g/mol. Its IUPAC name is 1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane
PubChem CID166486265
Molecular FormulaC8HF15O
Molecular Weight398.07 g/mol
Exact Mass397.98
IUPAC Name1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane
SMILESFC(=COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8HF15O/c9-2(3(10,11)12)1-24-4(6(15,16)17,7(18,19)20)5(13,14)8(21,22)23/h1H
InChIKeyKOVJOPPBAYRBEE-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.07
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane?
The IUPAC name of 1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane (CID 166486265) is 1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane is FC(=COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane?
The InChIKey is KOVJOPPBAYRBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF15O/c9-2(3(10,11)12)1-24-4(6(15,16)17,7(18,19)20)5(13,14)8(21,22)23/h1H.
What are the key properties of 1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane?
1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane has a molecular weight of 398.07 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,4,4-octafluoro-3-(2,3,3,3-tetrafluoroprop-1-enoxy)-3-(trifluoromethyl)butane is sourced from PubChem (CID 166486265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).