4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene

C11H15F7O — CID 58936755

IUPAC4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene
SMILESC=C(CC(C)COCC(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F7O/c1-7(4-8(2)10(13,14)15)5-19-6-9(3,12)11(16,17)18/h7H,2,4-6H2,1,3H3
InChIKeyIJBUFBXAWAFBJG-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.44
Rot. Bonds6

About 4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene

4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene (PubChem CID 58936755) has the molecular formula C11H15F7O and a molecular weight of 296.23 g/mol. Its IUPAC name is 4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene
PubChem CID58936755
Molecular FormulaC11H15F7O
Molecular Weight296.23 g/mol
Exact Mass296.10
IUPAC Name4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene
SMILESC=C(CC(C)COCC(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F7O/c1-7(4-8(2)10(13,14)15)5-19-6-9(3,12)11(16,17)18/h7H,2,4-6H2,1,3H3
InChIKeyIJBUFBXAWAFBJG-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene?
The IUPAC name of 4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene (CID 58936755) is 4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene is C=C(CC(C)COCC(C)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene?
The InChIKey is IJBUFBXAWAFBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F7O/c1-7(4-8(2)10(13,14)15)5-19-6-9(3,12)11(16,17)18/h7H,2,4-6H2,1,3H3.
What are the key properties of 4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene?
4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene has a molecular weight of 296.23 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 58936755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).