2,3,3,6,6-pentafluoro-2-methyloxane

C6H7F5O — CID 18710861

IUPAC2,3,3,6,6-pentafluoro-2-methyloxane
SMILESCC1(F)OC(F)(F)CCC1(F)F
InChIInChI=1S/C6H7F5O/c1-4(7)5(8,9)2-3-6(10,11)12-4/h2-3H2,1H3
InChIKeyDJGHZCDQRJZMLJ-UHFFFAOYSA-N
MW190.11 g/mol
LogP2.71
Rot. Bonds

About 2,3,3,6,6-pentafluoro-2-methyloxane

2,3,3,6,6-pentafluoro-2-methyloxane (PubChem CID 18710861) has the molecular formula C6H7F5O and a molecular weight of 190.11 g/mol. Its IUPAC name is 2,3,3,6,6-pentafluoro-2-methyloxane.

Molecular Properties

Compound Name2,3,3,6,6-pentafluoro-2-methyloxane
PubChem CID18710861
Molecular FormulaC6H7F5O
Molecular Weight190.11 g/mol
Exact Mass190.04
IUPAC Name2,3,3,6,6-pentafluoro-2-methyloxane
SMILESCC1(F)OC(F)(F)CCC1(F)F
InChIInChI=1S/C6H7F5O/c1-4(7)5(8,9)2-3-6(10,11)12-4/h2-3H2,1H3
InChIKeyDJGHZCDQRJZMLJ-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
2,2,3,3,5,5,6-Heptafluoro-6-methyloxane
CID 18710857
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 2,3,3,6,6-pentafluoro-2-methyloxane?
The IUPAC name of 2,3,3,6,6-pentafluoro-2-methyloxane (CID 18710861) is 2,3,3,6,6-pentafluoro-2-methyloxane.
What is the SMILES notation for 2,3,3,6,6-pentafluoro-2-methyloxane?
The canonical SMILES for 2,3,3,6,6-pentafluoro-2-methyloxane is CC1(F)OC(F)(F)CCC1(F)F.
What is the InChIKey of 2,3,3,6,6-pentafluoro-2-methyloxane?
The InChIKey is DJGHZCDQRJZMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O/c1-4(7)5(8,9)2-3-6(10,11)12-4/h2-3H2,1H3.
What are the key properties of 2,3,3,6,6-pentafluoro-2-methyloxane?
2,3,3,6,6-pentafluoro-2-methyloxane has a molecular weight of 190.11 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,6,6-pentafluoro-2-methyloxane is sourced from PubChem (CID 18710861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).