1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane

C14H28F2O — CID 118527081

IUPAC1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane
SMILESCCOCC(C)(C)CCCC(F)(F)C(C)(C)C
InChIInChI=1S/C14H28F2O/c1-7-17-11-13(5,6)9-8-10-14(15,16)12(2,3)4/h7-11H2,1-6H3
InChIKeyLGQOQPQXJXFMQL-UHFFFAOYSA-N
MW250.37 g/mol
LogP4.90
Rot. Bonds7

About 1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane

1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane (PubChem CID 118527081) has the molecular formula C14H28F2O and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane.

Molecular Properties

Compound Name1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane
PubChem CID118527081
Molecular FormulaC14H28F2O
Molecular Weight250.37 g/mol
Exact Mass250.21
IUPAC Name1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane
SMILESCCOCC(C)(C)CCCC(F)(F)C(C)(C)C
InChIInChI=1S/C14H28F2O/c1-7-17-11-13(5,6)9-8-10-14(15,16)12(2,3)4/h7-11H2,1-6H3
InChIKeyLGQOQPQXJXFMQL-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane?
The IUPAC name of 1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane (CID 118527081) is 1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane.
What is the SMILES notation for 1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane?
The canonical SMILES for 1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane is CCOCC(C)(C)CCCC(F)(F)C(C)(C)C.
What is the InChIKey of 1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane?
The InChIKey is LGQOQPQXJXFMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2O/c1-7-17-11-13(5,6)9-8-10-14(15,16)12(2,3)4/h7-11H2,1-6H3.
What are the key properties of 1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane?
1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane has a molecular weight of 250.37 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6,6-difluoro-2,2,7,7-tetramethyloctane is sourced from PubChem (CID 118527081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).