4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane

C7H7F9O — CID 19063479

IUPAC4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
SMILESCCOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-17-3-4(8,9)5(10,6(11,12)13)7(14,15)16/h2-3H2,1H3
InChIKeyLNZAZFZCSNPXOD-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.49
Rot. Bonds4

About 4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane

4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane (PubChem CID 19063479) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
PubChem CID19063479
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
SMILESCCOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-17-3-4(8,9)5(10,6(11,12)13)7(14,15)16/h2-3H2,1H3
InChIKeyLNZAZFZCSNPXOD-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane?
The IUPAC name of 4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane (CID 19063479) is 4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane.
What is the SMILES notation for 4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane?
The canonical SMILES for 4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane is CCOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane?
The InChIKey is LNZAZFZCSNPXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c1-2-17-3-4(8,9)5(10,6(11,12)13)7(14,15)16/h2-3H2,1H3.
What are the key properties of 4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane?
4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane has a molecular weight of 278.11 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane is sourced from PubChem (CID 19063479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).