4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane

C7H7F7O — CID 71327879

IUPAC4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane
SMILESC=COCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F7O/c1-2-15-4-3-5(8,6(9,10)11)7(12,13)14/h2H,1,3-4H2
InChIKeyPPGVHBFAAPSLEH-UHFFFAOYSA-N
MW240.12 g/mol
LogP3.37
Rot. Bonds4

About 4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane

4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane (PubChem CID 71327879) has the molecular formula C7H7F7O and a molecular weight of 240.12 g/mol. Its IUPAC name is 4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane
PubChem CID71327879
Molecular FormulaC7H7F7O
Molecular Weight240.12 g/mol
Exact Mass240.04
IUPAC Name4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane
SMILESC=COCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F7O/c1-2-15-4-3-5(8,6(9,10)11)7(12,13)14/h2H,1,3-4H2
InChIKeyPPGVHBFAAPSLEH-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane?
The IUPAC name of 4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane (CID 71327879) is 4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane.
What is the SMILES notation for 4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane?
The canonical SMILES for 4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane is C=COCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane?
The InChIKey is PPGVHBFAAPSLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O/c1-2-15-4-3-5(8,6(9,10)11)7(12,13)14/h2H,1,3-4H2.
What are the key properties of 4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane?
4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane has a molecular weight of 240.12 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane is sourced from PubChem (CID 71327879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).