[(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate

C17H13F3O2 — CID 5374335

IUPAC[(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate
SMILESO=C(OC/C=C/c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3O2/c18-17(19,20)15-11-5-4-10-14(15)16(21)22-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKeyZSEYUPTXEAEKDT-RMKNXTFCSA-N
MW306.28 g/mol
LogP4.58
Rot. Bonds4

About [(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate

[(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate (PubChem CID 5374335) has the molecular formula C17H13F3O2 and a molecular weight of 306.28 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate
PubChem CID5374335
Molecular FormulaC17H13F3O2
Molecular Weight306.28 g/mol
Exact Mass306.09
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate
SMILESO=C(OC/C=C/c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3O2/c18-17(19,20)15-11-5-4-10-14(15)16(21)22-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKeyZSEYUPTXEAEKDT-RMKNXTFCSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pent-2-en-4-ynyl 2-(trifluoromethyl)benzoate
CID 531205
[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
CID 15365126
3-phenylprop-2-enyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 6614432
3-phenylprop-2-enyl 2-(ethylamino)benzoate
CID 174405623
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
2,2,2-trichloroethyl 2-(trifluoromethyl)benzoate
CID 91726282
3-phenylprop-2-enyl 2-(propanoylamino)benzoate
CID 174317231
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
3-phenylprop-2-enyl 2,2,2-trichloroacetate
CID 73178101
3-phenylprop-2-enyl 4-formylbenzoate
CID 163212040
[(E)-3-phenylprop-2-enyl] 4-chlorobenzoate
CID 5372534
[(E)-3-phenylprop-2-enyl] 2-(3,4-dimethylbenzoyl)benzoate
CID 2447236

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate (CID 5374335) is [(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate is O=C(OC/C=C/c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate?
The InChIKey is ZSEYUPTXEAEKDT-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H13F3O2/c18-17(19,20)15-11-5-4-10-14(15)16(21)22-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate?
[(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate has a molecular weight of 306.28 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 5374335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).