1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene

C19H17F3 — CID 71390384

IUPAC1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene
SMILESC=CCC(C=Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H17F3/c1-2-6-16(17-7-4-3-5-8-17)12-9-15-10-13-18(14-11-15)19(20,21)22/h2-5,7-14,16H,1,6H2
InChIKeyAKGHDJVGEWFYOT-UHFFFAOYSA-N
MW302.34 g/mol
LogP6.08
Rot. Bonds5

About 1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene

1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene (PubChem CID 71390384) has the molecular formula C19H17F3 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene
PubChem CID71390384
Molecular FormulaC19H17F3
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene
SMILESC=CCC(C=Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H17F3/c1-2-6-16(17-7-4-3-5-8-17)12-9-15-10-13-18(14-11-15)19(20,21)22/h2-5,7-14,16H,1,6H2
InChIKeyAKGHDJVGEWFYOT-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.34
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline
CID 71390388
1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene
CID 11130099
triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium
CID 73432533
1-[(1E)-5-phenylmethoxyocta-1,7-dienyl]-4-(trifluoromethyl)benzene
CID 101238624
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
[(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene
CID 66553425
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 11148298
2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 135083889
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 15527575
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
CID 145089374
N-[1-[3-(trifluoromethyl)phenyl]but-3-enyl]aniline
CID 102383013

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene (CID 71390384) is 1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene is C=CCC(C=Cc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene?
The InChIKey is AKGHDJVGEWFYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3/c1-2-6-16(17-7-4-3-5-8-17)12-9-15-10-13-18(14-11-15)19(20,21)22/h2-5,7-14,16H,1,6H2.
What are the key properties of 1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene?
1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene has a molecular weight of 302.34 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 71390384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).