2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane

C10F20O — CID 90188082

IUPAC2,2,3,3,4,4,5,5,6-nonafluoro-6-[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)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F20O/c11-1(8(23,24)25,9(26,27)28)2(12,13)4(16,17)7(22)5(18,19)3(14,15)6(20,21)10(29,30)31-7
InChIKeyGAOADSCKWHGSMQ-UHFFFAOYSA-N
MW516.07 g/mol
LogP6.28
Rot. Bonds3

About 2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane

2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane (PubChem CID 90188082) has the molecular formula C10F20O and a molecular weight of 516.07 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane
PubChem CID90188082
Molecular FormulaC10F20O
Molecular Weight516.07 g/mol
Exact Mass515.96
IUPAC Name2,2,3,3,4,4,5,5,6-nonafluoro-6-[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)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F20O/c11-1(8(23,24)25,9(26,27)28)2(12,13)4(16,17)7(22)5(18,19)3(14,15)6(20,21)10(29,30)31-7
InChIKeyGAOADSCKWHGSMQ-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.07
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane?
The IUPAC name of 2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane (CID 90188082) is 2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6-nonafluoro-6-[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)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane?
The InChIKey is GAOADSCKWHGSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F20O/c11-1(8(23,24)25,9(26,27)28)2(12,13)4(16,17)7(22)5(18,19)3(14,15)6(20,21)10(29,30)31-7.
What are the key properties of 2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane?
2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane has a molecular weight of 516.07 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6-nonafluoro-6-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane is sourced from PubChem (CID 90188082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).