1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene

C15H16F4O — CID 122202290

IUPAC1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene
SMILESC=CCCCC(C=C)c1c(F)c(F)c(OC)c(F)c1F
InChIInChI=1S/C15H16F4O/c1-4-6-7-8-9(5-2)10-11(16)13(18)15(20-3)14(19)12(10)17/h4-5,9H,1-2,6-8H2,3H3
InChIKeyUQJGBCOSNPZCNH-UHFFFAOYSA-N
MW288.28 g/mol
LogP4.88
Rot. Bonds7

About 1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene

1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene (PubChem CID 122202290) has the molecular formula C15H16F4O and a molecular weight of 288.28 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene
PubChem CID122202290
Molecular FormulaC15H16F4O
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Name1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene
SMILESC=CCCCC(C=C)c1c(F)c(F)c(OC)c(F)c1F
InChIInChI=1S/C15H16F4O/c1-4-6-7-8-9(5-2)10-11(16)13(18)15(20-3)14(19)12(10)17/h4-5,9H,1-2,6-8H2,3H3
InChIKeyUQJGBCOSNPZCNH-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene (CID 122202290) is 1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene is C=CCCCC(C=C)c1c(F)c(F)c(OC)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene?
The InChIKey is UQJGBCOSNPZCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O/c1-4-6-7-8-9(5-2)10-11(16)13(18)15(20-3)14(19)12(10)17/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene?
1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene has a molecular weight of 288.28 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-methoxy-6-octa-1,7-dien-3-ylbenzene is sourced from PubChem (CID 122202290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).