3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene

C11H9F13O — CID 20802292

IUPAC3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene
SMILESC=C(C(F)(F)F)C(F)(F)C(F)(F)COCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F13O/c1-5(9(16,17)18)8(14,15)7(12,13)4-25-3-6(2,10(19,20)21)11(22,23)24/h1,3-4H2,2H3
InChIKeyPUGYHJYWVACBEZ-UHFFFAOYSA-N
MW404.17 g/mol
LogP5.52
Rot. Bonds6

About 3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene

3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene (PubChem CID 20802292) has the molecular formula C11H9F13O and a molecular weight of 404.17 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene
PubChem CID20802292
Molecular FormulaC11H9F13O
Molecular Weight404.17 g/mol
Exact Mass404.04
IUPAC Name3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene
SMILESC=C(C(F)(F)F)C(F)(F)C(F)(F)COCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F13O/c1-5(9(16,17)18)8(14,15)7(12,13)4-25-3-6(2,10(19,20)21)11(22,23)24/h1,3-4H2,2H3
InChIKeyPUGYHJYWVACBEZ-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.17
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene?
The IUPAC name of 3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene (CID 20802292) is 3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene?
The canonical SMILES for 3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene is C=C(C(F)(F)F)C(F)(F)C(F)(F)COCC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene?
The InChIKey is PUGYHJYWVACBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F13O/c1-5(9(16,17)18)8(14,15)7(12,13)4-25-3-6(2,10(19,20)21)11(22,23)24/h1,3-4H2,2H3.
What are the key properties of 3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene?
3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene has a molecular weight of 404.17 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene is sourced from PubChem (CID 20802292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).