2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane

C14H19F9O2 — CID 18927678

IUPAC2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane
SMILESCCCCC(COC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F9O2/c1-2-3-5-9(8-25-10-6-4-7-24-10)11(15,16)12(17,18)13(19,20)14(21,22)23/h9-10H,2-8H2,1H3
InChIKeyNFKPKEWEPUYBPZ-UHFFFAOYSA-N
MW390.29 g/mol
LogP5.41
Rot. Bonds9

About 2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane

2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane (PubChem CID 18927678) has the molecular formula C14H19F9O2 and a molecular weight of 390.29 g/mol. Its IUPAC name is 2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane.

Molecular Properties

Compound Name2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane
PubChem CID18927678
Molecular FormulaC14H19F9O2
Molecular Weight390.29 g/mol
Exact Mass390.12
IUPAC Name2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane
SMILESCCCCC(COC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F9O2/c1-2-3-5-9(8-25-10-6-4-7-24-10)11(15,16)12(17,18)13(19,20)14(21,22)23/h9-10H,2-8H2,1H3
InChIKeyNFKPKEWEPUYBPZ-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.29
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane?
The IUPAC name of 2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane (CID 18927678) is 2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane.
What is the SMILES notation for 2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane?
The canonical SMILES for 2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane is CCCCC(COC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane?
The InChIKey is NFKPKEWEPUYBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F9O2/c1-2-3-5-9(8-25-10-6-4-7-24-10)11(15,16)12(17,18)13(19,20)14(21,22)23/h9-10H,2-8H2,1H3.
What are the key properties of 2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane?
2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane has a molecular weight of 390.29 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane is sourced from PubChem (CID 18927678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).