2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane

C7F14O — CID 12596606

IUPAC2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane
SMILESFC(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7F14O/c8-1(9)2(10,11)5(16,4(14,15)6(17,18)19)22-7(20,21)3(1,12)13
InChIKeyLFGUWUCYKUMXET-UHFFFAOYSA-N
MW366.05 g/mol
LogP4.38
Rot. Bonds1

About 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane

2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane (PubChem CID 12596606) has the molecular formula C7F14O and a molecular weight of 366.05 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane
PubChem CID12596606
Molecular FormulaC7F14O
Molecular Weight366.05 g/mol
Exact Mass365.97
IUPAC Name2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane
SMILESFC(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7F14O/c8-1(9)2(10,11)5(16,4(14,15)6(17,18)19)22-7(20,21)3(1,12)13
InChIKeyLFGUWUCYKUMXET-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6-Nonafluoro-6-(heptafluoropropyl)tetrahydro-2H-pyran
CID 101651
2,2,3,3,4,4,5,5,6-Nonafluorotetrahydro-6-(trifluoromethyl)-2H-pyran
CID 3013857
Perfluoro-2-nonylpentahydropyran
CID 109190
2,2,3,3,4,4,5,5,6-Nonafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane
CID 12596607
2,2,3,3,4,4,5,5,6-Nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxane
CID 12596608
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane
CID 15124849
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)heptane
CID 15124852
2-(1,1-Difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane
CID 58545265
2-(1,1-Difluoroethyl)-2,3,3,6,6-pentafluorooxane
CID 58545279
2,2,3,3,4,4,5,5,6-Nonafluoro-6-(tridecafluorohexyl)oxane
CID 71380340
2-(1,1-Difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane
CID 88545032

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane?
The IUPAC name of 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane (CID 12596606) is 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane is FC(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-(1,1,2,2,2-pentafluoroethyl)oxane?
The InChIKey is LFGUWUCYKUMXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14O/c8-1(9)2(10,11)5(16,4(14,15)6(17,18)19)22-7(20,21)3(1,12)13.
What are the key properties of 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane?
2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane has a molecular weight of 366.05 g/mol, XLogP of 4.38, 1 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-(1,1,2,2,2-pentafluoroethyl)oxane is sourced from PubChem (CID 12596606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).