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

C7H7F9O — CID 87989576

IUPAC1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane
SMILESCCOC(F)(F)C(F)(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-17-7(15,16)4(8,6(12,13)14)3-5(9,10)11/h2-3H2,1H3
InChIKeyVKWSYZZTACKIEM-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.84
Rot. Bonds4

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

1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane (PubChem CID 87989576) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane
PubChem CID87989576
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane
SMILESCCOC(F)(F)C(F)(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-17-7(15,16)4(8,6(12,13)14)3-5(9,10)11/h2-3H2,1H3
InChIKeyVKWSYZZTACKIEM-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane?
The IUPAC name of 1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane (CID 87989576) is 1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane.
What is the SMILES notation for 1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane?
The canonical SMILES for 1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane is CCOC(F)(F)C(F)(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane?
The InChIKey is VKWSYZZTACKIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c1-2-17-7(15,16)4(8,6(12,13)14)3-5(9,10)11/h2-3H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane?
1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane has a molecular weight of 278.11 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane is sourced from PubChem (CID 87989576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).