methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate

C12H11FO2 — CID 115024471

IUPACmethyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate
SMILESCOC(=O)/C=C\C=C\c1ccc(F)cc1
InChIInChI=1S/C12H11FO2/c1-15-12(14)5-3-2-4-10-6-8-11(13)9-7-10/h2-9H,1H3/b4-2+,5-3-
InChIKeyHGVRNEHRRFWDRY-HZDAAVBUSA-N
MW206.22 g/mol
LogP2.57
Rot. Bonds3

About methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate

methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate (PubChem CID 115024471) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate
PubChem CID115024471
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Namemethyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate
SMILESCOC(=O)/C=C\C=C\c1ccc(F)cc1
InChIInChI=1S/C12H11FO2/c1-15-12(14)5-3-2-4-10-6-8-11(13)9-7-10/h2-9H,1H3/b4-2+,5-3-
InChIKeyHGVRNEHRRFWDRY-HZDAAVBUSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
CID 92525134
cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate
CID 88841794
1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
CID 12032378
methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate
CID 115023302
methyl 3-[4-[(E)-2-(4-fluorophenyl)-3-hydroxyprop-1-enyl]phenyl]prop-2-enoate
CID 68768999
methyl (2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
CID 152502233
methyl (2Z,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
CID 166068269
methyl (2E,4Z)-5-(4-octoxyphenyl)penta-2,4-dienoate
CID 5372840
methyl 3-[4-(3,5-difluorophenyl)phenyl]prop-2-enoate
CID 77236379
furan-2,5-dione;methyl 5-phenylpenta-2,4-dienoate
CID 157407947
[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 11726774
methyl (2Z,4E)-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 115047717

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate?
The IUPAC name of methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate (CID 115024471) is methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate?
The canonical SMILES for methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate is COC(=O)/C=C\C=C\c1ccc(F)cc1.
What is the InChIKey of methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate?
The InChIKey is HGVRNEHRRFWDRY-HZDAAVBUSA-N. The full InChI is InChI=1S/C12H11FO2/c1-15-12(14)5-3-2-4-10-6-8-11(13)9-7-10/h2-9H,1H3/b4-2+,5-3-.
What are the key properties of methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate?
methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate has a molecular weight of 206.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate is sourced from PubChem (CID 115024471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).