2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane

C11H20F2O — CID 126702754

IUPAC2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane
SMILESCC1OC(C(C)(F)F)C(C)C(C)C1C
InChIInChI=1S/C11H20F2O/c1-6-7(2)9(4)14-10(8(6)3)11(5,12)13/h6-10H,1-5H3
InChIKeyOKVICDXNYDCLJW-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.34
Rot. Bonds1

About 2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane

2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane (PubChem CID 126702754) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane
PubChem CID126702754
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane
SMILESCC1OC(C(C)(F)F)C(C)C(C)C1C
InChIInChI=1S/C11H20F2O/c1-6-7(2)9(4)14-10(8(6)3)11(5,12)13/h6-10H,1-5H3
InChIKeyOKVICDXNYDCLJW-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane?
The IUPAC name of 2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane (CID 126702754) is 2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane?
The canonical SMILES for 2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane is CC1OC(C(C)(F)F)C(C)C(C)C1C.
What is the InChIKey of 2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane?
The InChIKey is OKVICDXNYDCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O/c1-6-7(2)9(4)14-10(8(6)3)11(5,12)13/h6-10H,1-5H3.
What are the key properties of 2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane?
2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane has a molecular weight of 206.28 g/mol, XLogP of 3.34, 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)-3,4,5,6-tetramethyloxane is sourced from PubChem (CID 126702754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).