1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene

C20H18F4 — CID 122202281

IUPAC1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene
SMILESC=CCCCC(C=C)c1c(F)c(F)c(-c2ccccc2)c(F)c1F
InChIInChI=1S/C20H18F4/c1-3-5-7-10-13(4-2)15-17(21)19(23)16(20(24)18(15)22)14-11-8-6-9-12-14/h3-4,6,8-9,11-13H,1-2,5,7,10H2
InChIKeyBDLKJZXTHAYVSV-UHFFFAOYSA-N
MW334.36 g/mol
LogP6.54
Rot. Bonds7

About 1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene

1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene (PubChem CID 122202281) has the molecular formula C20H18F4 and a molecular weight of 334.36 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene
PubChem CID122202281
Molecular FormulaC20H18F4
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene
SMILESC=CCCCC(C=C)c1c(F)c(F)c(-c2ccccc2)c(F)c1F
InChIInChI=1S/C20H18F4/c1-3-5-7-10-13(4-2)15-17(21)19(23)16(20(24)18(15)22)14-11-8-6-9-12-14/h3-4,6,8-9,11-13H,1-2,5,7,10H2
InChIKeyBDLKJZXTHAYVSV-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.36
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-octa-1,7-dien-3-yl-6-phenylbenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene (CID 122202281) is 1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene is C=CCCCC(C=C)c1c(F)c(F)c(-c2ccccc2)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene?
The InChIKey is BDLKJZXTHAYVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4/c1-3-5-7-10-13(4-2)15-17(21)19(23)16(20(24)18(15)22)14-11-8-6-9-12-14/h3-4,6,8-9,11-13H,1-2,5,7,10H2.
What are the key properties of 1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene?
1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene has a molecular weight of 334.36 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-octa-1,7-dien-3-yl-6-phenylbenzene is sourced from PubChem (CID 122202281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).