2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane

C7H7F7O — CID 58545279

IUPAC2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane
SMILESCC(F)(F)C1(F)OC(F)(F)CCC1(F)F
InChIInChI=1S/C7H7F7O/c1-4(8,9)7(14)5(10,11)2-3-6(12,13)15-7/h2-3H2,1H3
InChIKeyKBNLEFISAUVIRN-UHFFFAOYSA-N
MW240.12 g/mol
LogP3.35
Rot. Bonds1

About 2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane

2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane (PubChem CID 58545279) has the molecular formula C7H7F7O and a molecular weight of 240.12 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane
PubChem CID58545279
Molecular FormulaC7H7F7O
Molecular Weight240.12 g/mol
Exact Mass240.04
IUPAC Name2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane
SMILESCC(F)(F)C1(F)OC(F)(F)CCC1(F)F
InChIInChI=1S/C7H7F7O/c1-4(8,9)7(14)5(10,11)2-3-6(12,13)15-7/h2-3H2,1H3
InChIKeyKBNLEFISAUVIRN-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,4,5,5,6-Nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane
CID 12596606
2-(Difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane
CID 4136522
2-Ethyl-2,5,5-trifluorooxane
CID 18684081
2,2,3,3,5,5,6-Heptafluoro-6-methyloxane
CID 18710857
2,3,3,6,6-Pentafluoro-2-methyloxane
CID 18710861
2,2,3,3,4,4,5-Heptafluoro-5-propyloxolane
CID 20145783
2-(1,1-Difluoroethyl)-2,3,3,5,5-pentafluorooxane
CID 20700670
2-(1,1-Difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane
CID 58545265
2-(1,1-Difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane
CID 58545280
1-(1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
CID 87506219
2-(1,1-Difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane
CID 88545032
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)nonane
CID 89181057

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane (CID 58545279) is 2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane is CC(F)(F)C1(F)OC(F)(F)CCC1(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane?
The InChIKey is KBNLEFISAUVIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O/c1-4(8,9)7(14)5(10,11)2-3-6(12,13)15-7/h2-3H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane?
2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane has a molecular weight of 240.12 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-2,3,3,6,6-pentafluorooxane is sourced from PubChem (CID 58545279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).