2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane

C10H9F11O — CID 23443849

IUPAC2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C1CCCCO1
InChIInChI=1S/C10H9F11O/c11-6(12,5-3-1-2-4-22-5)8(14,15)7(13,9(16,17)18)10(19,20)21/h5H,1-4H2
InChIKeyPEVNOCDTNRVNOO-UHFFFAOYSA-N
MW354.16 g/mol
LogP4.66
Rot. Bonds3

About 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane

2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane (PubChem CID 23443849) has the molecular formula C10H9F11O and a molecular weight of 354.16 g/mol. Its IUPAC name is 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane.

Molecular Properties

Compound Name2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane
PubChem CID23443849
Molecular FormulaC10H9F11O
Molecular Weight354.16 g/mol
Exact Mass354.05
IUPAC Name2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C1CCCCO1
InChIInChI=1S/C10H9F11O/c11-6(12,5-3-1-2-4-22-5)8(14,15)7(13,9(16,17)18)10(19,20)21/h5H,1-4H2
InChIKeyPEVNOCDTNRVNOO-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane with MolForge

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Related Compounds

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
2-(1,2,2,3,3,4,4,5-Octafluorocyclopentyl)oxane
CID 13451009
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-7-(2-methylpentan-2-yloxy)octane
CID 18377165
2-(2,2,3,3,4,4,5,6,6,6-Decafluoro-5-methylhexyl)oxirane
CID 18702670
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Octadecafluoro-9-methyldecyl)oxirane
CID 18702684
2-(2,2,3,3,4,4,5,5,6,7,7,7-Dodecafluoro-6-methylheptyl)oxirane
CID 18702688
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-methylnonyl)oxirane
CID 18702694
2-(2,2,3,3,4,4,5,5,6,6,7,8,8,8-Tetradecafluoro-7-methyloctyl)oxirane
CID 18702705
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Docosafluoro-11-methyldodecyl)oxirane
CID 18702710
2-[1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-Hexadecafluoro-7-(trifluoromethyl)octyl]-3-methyloxirane
CID 18935091
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)oxane
CID 18950092

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane?
The IUPAC name of 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane (CID 23443849) is 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane.
What is the SMILES notation for 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane?
The canonical SMILES for 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane is FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C1CCCCO1.
What is the InChIKey of 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane?
The InChIKey is PEVNOCDTNRVNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F11O/c11-6(12,5-3-1-2-4-22-5)8(14,15)7(13,9(16,17)18)10(19,20)21/h5H,1-4H2.
What are the key properties of 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane?
2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane has a molecular weight of 354.16 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane is sourced from PubChem (CID 23443849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).