1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene

C10H8F6O — CID 22993249

IUPAC1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene
SMILESC=CC(OC(C=C)C(F)=C(F)F)C(F)=C(F)F
InChIInChI=1S/C10H8F6O/c1-3-5(7(11)9(13)14)17-6(4-2)8(12)10(15)16/h3-6H,1-2H2
InChIKeyKDHJUUQRUFSQLW-UHFFFAOYSA-N
MW258.16 g/mol
LogP4.27
Rot. Bonds6

About 1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene

1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene (PubChem CID 22993249) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene.

Molecular Properties

Compound Name1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene
PubChem CID22993249
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene
SMILESC=CC(OC(C=C)C(F)=C(F)F)C(F)=C(F)F
InChIInChI=1S/C10H8F6O/c1-3-5(7(11)9(13)14)17-6(4-2)8(12)10(15)16/h3-6H,1-2H2
InChIKeyKDHJUUQRUFSQLW-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 54.27
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 1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene?
The IUPAC name of 1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene (CID 22993249) is 1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene.
What is the SMILES notation for 1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene?
The canonical SMILES for 1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene is C=CC(OC(C=C)C(F)=C(F)F)C(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene?
The InChIKey is KDHJUUQRUFSQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c1-3-5(7(11)9(13)14)17-6(4-2)8(12)10(15)16/h3-6H,1-2H2.
What are the key properties of 1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene?
1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene has a molecular weight of 258.16 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene is sourced from PubChem (CID 22993249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).