2-ethoxy-1,1,1,2,3,3-hexafluoropropane

C5H6F6O — CID 53407642

IUPAC2-ethoxy-1,1,1,2,3,3-hexafluoropropane
SMILESCCOC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c1-2-12-4(8,3(6)7)5(9,10)11/h3H,2H2,1H3
InChIKeyVXHQEVWYYPYALS-UHFFFAOYSA-N
MW196.09 g/mol
LogP2.52
Rot. Bonds3

About 2-ethoxy-1,1,1,2,3,3-hexafluoropropane

2-ethoxy-1,1,1,2,3,3-hexafluoropropane (PubChem CID 53407642) has the molecular formula C5H6F6O and a molecular weight of 196.09 g/mol. Its IUPAC name is 2-ethoxy-1,1,1,2,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-ethoxy-1,1,1,2,3,3-hexafluoropropane
PubChem CID53407642
Molecular FormulaC5H6F6O
Molecular Weight196.09 g/mol
Exact Mass196.03
IUPAC Name2-ethoxy-1,1,1,2,3,3-hexafluoropropane
SMILESCCOC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c1-2-12-4(8,3(6)7)5(9,10)11/h3H,2H2,1H3
InChIKeyVXHQEVWYYPYALS-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,1,1,2,3,3-hexafluoropropane?
The IUPAC name of 2-ethoxy-1,1,1,2,3,3-hexafluoropropane (CID 53407642) is 2-ethoxy-1,1,1,2,3,3-hexafluoropropane.
What is the SMILES notation for 2-ethoxy-1,1,1,2,3,3-hexafluoropropane?
The canonical SMILES for 2-ethoxy-1,1,1,2,3,3-hexafluoropropane is CCOC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1,2,3,3-hexafluoropropane?
The InChIKey is VXHQEVWYYPYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O/c1-2-12-4(8,3(6)7)5(9,10)11/h3H,2H2,1H3.
What are the key properties of 2-ethoxy-1,1,1,2,3,3-hexafluoropropane?
2-ethoxy-1,1,1,2,3,3-hexafluoropropane has a molecular weight of 196.09 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1,2,3,3-hexafluoropropane is sourced from PubChem (CID 53407642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).