2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane

C11H9F3O — CID 59001960

IUPAC2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane
SMILESFC(F)(F)c1ccc(/C=C/C2CO2)cc1
InChIInChI=1S/C11H9F3O/c12-11(13,14)9-4-1-8(2-5-9)3-6-10-7-15-10/h1-6,10H,7H2/b6-3+
InChIKeyLUBCJWGDCCVBEO-ZZXKWVIFSA-N
MW214.19 g/mol
LogP3.12
Rot. Bonds2

About 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane

2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane (PubChem CID 59001960) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane.

Molecular Properties

Compound Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane
PubChem CID59001960
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane
SMILESFC(F)(F)c1ccc(/C=C/C2CO2)cc1
InChIInChI=1S/C11H9F3O/c12-11(13,14)9-4-1-8(2-5-9)3-6-10-7-15-10/h1-6,10H,7H2/b6-3+
InChIKeyLUBCJWGDCCVBEO-ZZXKWVIFSA-N
XLogP3.12
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolan-2-ol
CID 102486493
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene
CID 166936181
[(1S,2R,5S)-2-ethenyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]oxy-trimethylsilane
CID 15418783
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one
CID 70683812
1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine
CID 72503526
[(4R)-2,2-dimethyl-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxaborolan-3-yl]oxymethanamine
CID 69283192
S-[2-[(1E,3E)-4-[4-(trifluoromethyl)phenyl]buta-1,3-dienyl]-1,3-dioxan-5-yl] ethanethioate
CID 18363337
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 11148298
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane?
The IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane (CID 59001960) is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane.
What is the SMILES notation for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane?
The canonical SMILES for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane is FC(F)(F)c1ccc(/C=C/C2CO2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane?
The InChIKey is LUBCJWGDCCVBEO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H9F3O/c12-11(13,14)9-4-1-8(2-5-9)3-6-10-7-15-10/h1-6,10H,7H2/b6-3+.
What are the key properties of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane?
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane has a molecular weight of 214.19 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane is sourced from PubChem (CID 59001960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).