2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane

C7H7F7O — CID 20700670

IUPAC2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane
SMILESCC(F)(F)C1(F)OCC(F)(F)CC1(F)F
InChIInChI=1S/C7H7F7O/c1-4(8,9)7(14)6(12,13)2-5(10,11)3-15-7/h2-3H2,1H3
InChIKeyGVYWNBBLPZJREV-UHFFFAOYSA-N
MW240.12 g/mol
LogP3.00
Rot. Bonds1

About 2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane

2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane (PubChem CID 20700670) has the molecular formula C7H7F7O and a molecular weight of 240.12 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane
PubChem CID20700670
Molecular FormulaC7H7F7O
Molecular Weight240.12 g/mol
Exact Mass240.04
IUPAC Name2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane
SMILESCC(F)(F)C1(F)OCC(F)(F)CC1(F)F
InChIInChI=1S/C7H7F7O/c1-4(8,9)7(14)6(12,13)2-5(10,11)3-15-7/h2-3H2,1H3
InChIKeyGVYWNBBLPZJREV-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl perfluoroheptyl ether
CID 9909702
2,3,4,5-Tetrafluoro-6-(trifluoromethyl)oxane
CID 20388261
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-(2,2,2-Trifluoroethyl)oxane
CID 18927718
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)oxane
CID 18950092
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-propan-2-yloxyheptane
CID 19761978
2-(1,1,2,2,3,3,4,4,5,5,5-Undecafluoropentyl)oxane
CID 19800866
2-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)oxane
CID 19800869
2,3,4,5-Tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane
CID 19898567
2,3,4,5-Tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane
CID 19898569

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane (CID 20700670) is 2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane is CC(F)(F)C1(F)OCC(F)(F)CC1(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane?
The InChIKey is GVYWNBBLPZJREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O/c1-4(8,9)7(14)6(12,13)2-5(10,11)3-15-7/h2-3H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane?
2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxane has a molecular weight of 240.12 g/mol, XLogP of 3.00, 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)-2,3,3,5,5-pentafluorooxane is sourced from PubChem (CID 20700670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).