2-ethenoxy-1,1,1-trifluoro-2-methylpropane

C6H9F3O — CID 57443668

IUPAC2-ethenoxy-1,1,1-trifluoro-2-methylpropane
SMILESC=COC(C)(C)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-4-10-5(2,3)6(7,8)9/h4H,1H2,2-3H3
InChIKeyBSBWCYXJHOJADT-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.49
Rot. Bonds2

About 2-ethenoxy-1,1,1-trifluoro-2-methylpropane

2-ethenoxy-1,1,1-trifluoro-2-methylpropane (PubChem CID 57443668) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-ethenoxy-1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Name2-ethenoxy-1,1,1-trifluoro-2-methylpropane
PubChem CID57443668
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-ethenoxy-1,1,1-trifluoro-2-methylpropane
SMILESC=COC(C)(C)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-4-10-5(2,3)6(7,8)9/h4H,1H2,2-3H3
InChIKeyBSBWCYXJHOJADT-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1,1,1-trifluoro-2-methylpropane?
The IUPAC name of 2-ethenoxy-1,1,1-trifluoro-2-methylpropane (CID 57443668) is 2-ethenoxy-1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for 2-ethenoxy-1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for 2-ethenoxy-1,1,1-trifluoro-2-methylpropane is C=COC(C)(C)C(F)(F)F.
What is the InChIKey of 2-ethenoxy-1,1,1-trifluoro-2-methylpropane?
The InChIKey is BSBWCYXJHOJADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-4-10-5(2,3)6(7,8)9/h4H,1H2,2-3H3.
What are the key properties of 2-ethenoxy-1,1,1-trifluoro-2-methylpropane?
2-ethenoxy-1,1,1-trifluoro-2-methylpropane has a molecular weight of 154.13 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 57443668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).