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

C6H9F3O — CID 87205209

IUPAC1-ethenoxy-1,1,2-trifluoro-2-methylpropane
SMILESC=COC(F)(F)C(C)(C)F
InChIInChI=1S/C6H9F3O/c1-4-10-6(8,9)5(2,3)7/h4H,1H2,2-3H3
InChIKeyFVQVIHGLURUUQZ-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.49
Rot. Bonds3

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

1-ethenoxy-1,1,2-trifluoro-2-methylpropane (PubChem CID 87205209) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 1-ethenoxy-1,1,2-trifluoro-2-methylpropane.

Molecular Properties

Compound Name1-ethenoxy-1,1,2-trifluoro-2-methylpropane
PubChem CID87205209
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name1-ethenoxy-1,1,2-trifluoro-2-methylpropane
SMILESC=COC(F)(F)C(C)(C)F
InChIInChI=1S/C6H9F3O/c1-4-10-6(8,9)5(2,3)7/h4H,1H2,2-3H3
InChIKeyFVQVIHGLURUUQZ-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

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CID 11116446
1-Ethenoxy-1-fluoropropane
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1-Ethenoxy-1,1-difluoroethane
CID 20158127
1-Ethenoxy-2,2,3-trifluoropropane
CID 20793127
2-(Ethenoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane
CID 20802051
1-Ethenoxy-2,2,3,3-tetrafluorobutane
CID 23056322
2-Ethenoxy-1,3,3-trifluorobutane
CID 53679537
2-Ethenoxy-1,1,3,3-tetrafluorobutane
CID 53995493
1-Ethenoxy-1,1,2,2-tetrafluoropropane
CID 54144045
2-Ethenoxy-1,1,1,3-tetrafluorobutane
CID 54405193
3-Ethenoxy-1,4,4-trifluoropentane
CID 54429715
3-Ethenoxy-1,1,4-trifluoropentane
CID 57011993

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,1,2-trifluoro-2-methylpropane?
The IUPAC name of 1-ethenoxy-1,1,2-trifluoro-2-methylpropane (CID 87205209) is 1-ethenoxy-1,1,2-trifluoro-2-methylpropane.
What is the SMILES notation for 1-ethenoxy-1,1,2-trifluoro-2-methylpropane?
The canonical SMILES for 1-ethenoxy-1,1,2-trifluoro-2-methylpropane is C=COC(F)(F)C(C)(C)F.
What is the InChIKey of 1-ethenoxy-1,1,2-trifluoro-2-methylpropane?
The InChIKey is FVQVIHGLURUUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-4-10-6(8,9)5(2,3)7/h4H,1H2,2-3H3.
What are the key properties of 1-ethenoxy-1,1,2-trifluoro-2-methylpropane?
1-ethenoxy-1,1,2-trifluoro-2-methylpropane has a molecular weight of 154.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1,2-trifluoro-2-methylpropane is sourced from PubChem (CID 87205209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).