1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane

C6H5F9O — CID 19063490

IUPAC1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(F)F
InChIInChI=1S/C6H5F9O/c7-3(6(13,14)15)4(8,9)1-16-2-5(10,11)12/h3H,1-2H2
InChIKeyLYRDESIPRCGUIJ-UHFFFAOYSA-N
MW264.09 g/mol
LogP3.10
Rot. Bonds4

About 1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane

1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane (PubChem CID 19063490) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane
PubChem CID19063490
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(F)F
InChIInChI=1S/C6H5F9O/c7-3(6(13,14)15)4(8,9)1-16-2-5(10,11)12/h3H,1-2H2
InChIKeyLYRDESIPRCGUIJ-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane (CID 19063490) is 1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane is FC(C(F)(F)F)C(F)(F)COCC(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane?
The InChIKey is LYRDESIPRCGUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c7-3(6(13,14)15)4(8,9)1-16-2-5(10,11)12/h3H,1-2H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane?
1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane has a molecular weight of 264.09 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 19063490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).