(5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane

C9F18O — CID 125121757

IUPAC(5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9F18O/c10-2(11,4(14,15)5(16,17)8(23,24)25)1(7(20,21)22)3(12,13)6(18,19)9(26,27)28-1/t1-/m1/s1
InChIKeyVMZMHKMTSBQNDI-PVQJCKRUSA-N
MW466.06 g/mol
LogP5.65
Rot. Bonds3

About (5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane

(5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane (PubChem CID 125121757) has the molecular formula C9F18O and a molecular weight of 466.06 g/mol. Its IUPAC name is (5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane
PubChem CID125121757
Molecular FormulaC9F18O
Molecular Weight466.06 g/mol
Exact Mass465.97
IUPAC Name(5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9F18O/c10-2(11,4(14,15)5(16,17)8(23,24)25)1(7(20,21)22)3(12,13)6(18,19)9(26,27)28-1/t1-/m1/s1
InChIKeyVMZMHKMTSBQNDI-PVQJCKRUSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.06
LogP ≤ 55.65
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 (5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane?
The IUPAC name of (5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane (CID 125121757) is (5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane.
What is the SMILES notation for (5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane?
The canonical SMILES for (5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane?
The InChIKey is VMZMHKMTSBQNDI-PVQJCKRUSA-N. The full InChI is InChI=1S/C9F18O/c10-2(11,4(14,15)5(16,17)8(23,24)25)1(7(20,21)22)3(12,13)6(18,19)9(26,27)28-1/t1-/m1/s1.
What are the key properties of (5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane?
(5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane has a molecular weight of 466.06 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane is sourced from PubChem (CID 125121757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).