1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene

C13H15F3 — CID 22975197

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
SMILESCC(C)(C)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3/c1-12(2,3)9-8-10-4-6-11(7-5-10)13(14,15)16/h4-9H,1-3H3/b9-8+
InChIKeyKJHFZZFCACYHRI-CMDGGOBGSA-N
MW228.26 g/mol
LogP4.76
Rot. Bonds1

About 1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene

1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene (PubChem CID 22975197) has the molecular formula C13H15F3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
PubChem CID22975197
Molecular FormulaC13H15F3
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
SMILESCC(C)(C)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3/c1-12(2,3)9-8-10-4-6-11(7-5-10)13(14,15)16/h4-9H,1-3H3/b9-8+
InChIKeyKJHFZZFCACYHRI-CMDGGOBGSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 11148298
4-[(E)-3,3-dimethylbut-1-enyl]pyridine
CID 59172126
CID 177399208
CID 177399208
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine
CID 89087487
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
CID 12996059

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene (CID 22975197) is 1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene is CC(C)(C)/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene?
The InChIKey is KJHFZZFCACYHRI-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H15F3/c1-12(2,3)9-8-10-4-6-11(7-5-10)13(14,15)16/h4-9H,1-3H3/b9-8+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene?
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene has a molecular weight of 228.26 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 22975197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).