1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene

C11H9F3 — CID 11148298

IUPAC1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
SMILESC=C/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3/c1-2-3-4-9-5-7-10(8-6-9)11(12,13)14/h2-8H,1H2/b4-3+
InChIKeyBKIGIIQTVZFVSW-ONEGZZNKSA-N
MW198.19 g/mol
LogP3.90
Rot. Bonds2

About 1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene

1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene (PubChem CID 11148298) has the molecular formula C11H9F3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
PubChem CID11148298
Molecular FormulaC11H9F3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
SMILESC=C/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3/c1-2-3-4-9-5-7-10(8-6-9)11(12,13)14/h2-8H,1H2/b4-3+
InChIKeyBKIGIIQTVZFVSW-ONEGZZNKSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
4-[(1Z)-buta-1,3-dienyl]phenol
CID 45082834
4-buta-1,3-dienylaniline
CID 59878075
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene
CID 73415199
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
CID 145089374
1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene
CID 166936181
2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine
CID 89087487
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene (CID 11148298) is 1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene is C=C/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene?
The InChIKey is BKIGIIQTVZFVSW-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H9F3/c1-2-3-4-9-5-7-10(8-6-9)11(12,13)14/h2-8H,1H2/b4-3+.
What are the key properties of 1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene?
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene has a molecular weight of 198.19 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 11148298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).