2,2,3,3,5,5,6-heptafluoro-6-methyloxane

C6H5F7O — CID 18710857

IUPAC2,2,3,3,5,5,6-heptafluoro-6-methyloxane
SMILESCC1(F)OC(F)(F)C(F)(F)CC1(F)F
InChIInChI=1S/C6H5F7O/c1-3(7)4(8,9)2-5(10,11)6(12,13)14-3/h2H2,1H3
InChIKeyWIIVRQBYUSFEPP-UHFFFAOYSA-N
MW226.09 g/mol
LogP2.96
Rot. Bonds

About 2,2,3,3,5,5,6-heptafluoro-6-methyloxane

2,2,3,3,5,5,6-heptafluoro-6-methyloxane (PubChem CID 18710857) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 2,2,3,3,5,5,6-heptafluoro-6-methyloxane.

Molecular Properties

Compound Name2,2,3,3,5,5,6-heptafluoro-6-methyloxane
PubChem CID18710857
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name2,2,3,3,5,5,6-heptafluoro-6-methyloxane
SMILESCC1(F)OC(F)(F)C(F)(F)CC1(F)F
InChIInChI=1S/C6H5F7O/c1-3(7)4(8,9)2-5(10,11)6(12,13)14-3/h2H2,1H3
InChIKeyWIIVRQBYUSFEPP-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 52.96
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

2,3,4,5-Tetrafluoro-6-(trifluoromethyl)oxane
CID 20388261
2-(Difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane
CID 4136522
2,3,3,6,6-Pentafluoro-2-methyloxane
CID 18710861
2,2,3,3,5,5-Hexafluoro-6-methyloxane
CID 20676466
2-(1,1-Difluoroethyl)-2,3,3,5,5-pentafluorooxolane
CID 20700669
2-(1,1-Difluoroethyl)-2,3,3,5,5-pentafluorooxane
CID 20700670
5-Ethyl-2,2,3,3,5-pentafluorooxolane
CID 20725477
2-(1,1-Difluoroethyl)-2,5,5-trifluorooxolane
CID 20802246
2-Ethyl-2,3,3,4,4,5,5-heptafluorooxolane
CID 22172825
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-(1,1,1,2-tetrafluoropropan-2-yloxy)hexane
CID 57724415
2-(1,1-Difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane
CID 58545265
5-(1,1-Difluoroethyl)-2,2,3,3,5-pentafluorooxolane
CID 58545270

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6-heptafluoro-6-methyloxane?
The IUPAC name of 2,2,3,3,5,5,6-heptafluoro-6-methyloxane (CID 18710857) is 2,2,3,3,5,5,6-heptafluoro-6-methyloxane.
What is the SMILES notation for 2,2,3,3,5,5,6-heptafluoro-6-methyloxane?
The canonical SMILES for 2,2,3,3,5,5,6-heptafluoro-6-methyloxane is CC1(F)OC(F)(F)C(F)(F)CC1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6-heptafluoro-6-methyloxane?
The InChIKey is WIIVRQBYUSFEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c1-3(7)4(8,9)2-5(10,11)6(12,13)14-3/h2H2,1H3.
What are the key properties of 2,2,3,3,5,5,6-heptafluoro-6-methyloxane?
2,2,3,3,5,5,6-heptafluoro-6-methyloxane has a molecular weight of 226.09 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6-heptafluoro-6-methyloxane is sourced from PubChem (CID 18710857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).