2,2-difluoro-3,6,6-trimethyloxane

C8H14F2O — CID 23405383

IUPAC2,2-difluoro-3,6,6-trimethyloxane
SMILESCC1CCC(C)(C)OC1(F)F
InChIInChI=1S/C8H14F2O/c1-6-4-5-7(2,3)11-8(6,9)10/h6H,4-5H2,1-3H3
InChIKeyOTZDFFCKXNTBSQ-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.80
Rot. Bonds

About 2,2-difluoro-3,6,6-trimethyloxane

2,2-difluoro-3,6,6-trimethyloxane (PubChem CID 23405383) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 2,2-difluoro-3,6,6-trimethyloxane.

Molecular Properties

Compound Name2,2-difluoro-3,6,6-trimethyloxane
PubChem CID23405383
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name2,2-difluoro-3,6,6-trimethyloxane
SMILESCC1CCC(C)(C)OC1(F)F
InChIInChI=1S/C8H14F2O/c1-6-4-5-7(2,3)11-8(6,9)10/h6H,4-5H2,1-3H3
InChIKeyOTZDFFCKXNTBSQ-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,6,6-trimethyloxane?
The IUPAC name of 2,2-difluoro-3,6,6-trimethyloxane (CID 23405383) is 2,2-difluoro-3,6,6-trimethyloxane.
What is the SMILES notation for 2,2-difluoro-3,6,6-trimethyloxane?
The canonical SMILES for 2,2-difluoro-3,6,6-trimethyloxane is CC1CCC(C)(C)OC1(F)F.
What is the InChIKey of 2,2-difluoro-3,6,6-trimethyloxane?
The InChIKey is OTZDFFCKXNTBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-6-4-5-7(2,3)11-8(6,9)10/h6H,4-5H2,1-3H3.
What are the key properties of 2,2-difluoro-3,6,6-trimethyloxane?
2,2-difluoro-3,6,6-trimethyloxane has a molecular weight of 164.19 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,6,6-trimethyloxane is sourced from PubChem (CID 23405383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).