1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene

C23H22F6 — CID 163828317

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene
SMILESC=CCCCc1ccc(C(c2ccc(C(=C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C23H22F6/c1-4-5-6-7-17-8-12-19(13-9-17)21(22(24,25)26,23(27,28)29)20-14-10-18(11-15-20)16(2)3/h4,8-15H,1-2,5-7H2,3H3
InChIKeyOBLUFBYMDDBKAJ-UHFFFAOYSA-N
MW412.42 g/mol
LogP7.64
Rot. Bonds7

About 1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene

1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene (PubChem CID 163828317) has the molecular formula C23H22F6 and a molecular weight of 412.42 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene
PubChem CID163828317
Molecular FormulaC23H22F6
Molecular Weight412.42 g/mol
Exact Mass412.16
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene
SMILESC=CCCCc1ccc(C(c2ccc(C(=C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C23H22F6/c1-4-5-6-7-17-8-12-19(13-9-17)21(22(24,25)26,23(27,28)29)20-14-10-18(11-15-20)16(2)3/h4,8-15H,1-2,5-7H2,3H3
InChIKeyOBLUFBYMDDBKAJ-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene (CID 163828317) is 1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene is C=CCCCc1ccc(C(c2ccc(C(=C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene?
The InChIKey is OBLUFBYMDDBKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F6/c1-4-5-6-7-17-8-12-19(13-9-17)21(22(24,25)26,23(27,28)29)20-14-10-18(11-15-20)16(2)3/h4,8-15H,1-2,5-7H2,3H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene?
1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene has a molecular weight of 412.42 g/mol, XLogP of 7.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(4-pent-4-enylphenyl)propan-2-yl]-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 163828317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).