1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene

C12H16F6O — CID 142757229

IUPAC1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene
SMILESCC(C)C(=CC(F)(F)F)OC(=CC(F)(F)F)C(C)C
InChIInChI=1S/C12H16F6O/c1-7(2)9(5-11(13,14)15)19-10(8(3)4)6-12(16,17)18/h5-8H,1-4H3
InChIKeyFJIAMVJPKZYLSE-UHFFFAOYSA-N
MW290.25 g/mol
LogP5.21
Rot. Bonds4

About 1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene

1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene (PubChem CID 142757229) has the molecular formula C12H16F6O and a molecular weight of 290.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene
PubChem CID142757229
Molecular FormulaC12H16F6O
Molecular Weight290.25 g/mol
Exact Mass290.11
IUPAC Name1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene
SMILESCC(C)C(=CC(F)(F)F)OC(=CC(F)(F)F)C(C)C
InChIInChI=1S/C12H16F6O/c1-7(2)9(5-11(13,14)15)19-10(8(3)4)6-12(16,17)18/h5-8H,1-4H3
InChIKeyFJIAMVJPKZYLSE-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.25
LogP ≤ 55.21
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 1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene?
The IUPAC name of 1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene (CID 142757229) is 1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene is CC(C)C(=CC(F)(F)F)OC(=CC(F)(F)F)C(C)C.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene?
The InChIKey is FJIAMVJPKZYLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6O/c1-7(2)9(5-11(13,14)15)19-10(8(3)4)6-12(16,17)18/h5-8H,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene?
1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene has a molecular weight of 290.25 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyl-3-(1,1,1-trifluoro-4-methylpent-2-en-3-yl)oxypent-2-ene is sourced from PubChem (CID 142757229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).