[(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate

C11H8F4O2 — CID 14148864

IUPAC[(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate
SMILESCC(=O)O/C(=C(/F)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H8F4O2/c1-7(16)17-10(11(13,14)15)9(12)8-5-3-2-4-6-8/h2-6H,1H3/b10-9+
InChIKeySFILOBQNQKYVLS-MDZDMXLPSA-N
MW248.18 g/mol
LogP3.45
Rot. Bonds2

About [(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate

[(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate (PubChem CID 14148864) has the molecular formula C11H8F4O2 and a molecular weight of 248.18 g/mol. Its IUPAC name is [(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate
PubChem CID14148864
Molecular FormulaC11H8F4O2
Molecular Weight248.18 g/mol
Exact Mass248.05
IUPAC Name[(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate
SMILESCC(=O)O/C(=C(/F)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H8F4O2/c1-7(16)17-10(11(13,14)15)9(12)8-5-3-2-4-6-8/h2-6H,1H3/b10-9+
InChIKeySFILOBQNQKYVLS-MDZDMXLPSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 162308474
CID 162308474
[(E)-1-methoxy-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132538322
[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566937
[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566938
[acetyloxy(phenyl)methylidene]manganese
CID 135047264
acetyl 2,2,2-trifluoroacetate;triphenylphosphane
CID 174839065
N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 161381447
3,3,3-trifluoro-1-phenylpropane-1,2-dione;hydrate
CID 2781162
(Z)-2,3-difluoro-1-phenylbut-2-en-1-one
CID 23236975
(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one
CID 10962887
[(Z)-1-(4-methylphenyl)-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132576918
benzoic acid;zirconium
CID 173089080

Frequently Asked Questions

What is the IUPAC name of [(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate?
The IUPAC name of [(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate (CID 14148864) is [(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate.
What is the SMILES notation for [(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate?
The canonical SMILES for [(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate is CC(=O)O/C(=C(/F)c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate?
The InChIKey is SFILOBQNQKYVLS-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H8F4O2/c1-7(16)17-10(11(13,14)15)9(12)8-5-3-2-4-6-8/h2-6H,1H3/b10-9+.
What are the key properties of [(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate?
[(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate has a molecular weight of 248.18 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate is sourced from PubChem (CID 14148864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).