methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate

C8H9FO2 — CID 144681824

IUPACmethyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate
SMILESC=C/C(F)=C(\C=C)C(=O)OC
InChIInChI=1S/C8H9FO2/c1-4-6(7(9)5-2)8(10)11-3/h4-5H,1-2H2,3H3/b7-6-
InChIKeyASOGNDHOHRXNTN-SREVYHEPSA-N
MW156.16 g/mol
LogP1.75
Rot. Bonds3

About methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate

methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate (PubChem CID 144681824) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate
PubChem CID144681824
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Namemethyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate
SMILESC=C/C(F)=C(\C=C)C(=O)OC
InChIInChI=1S/C8H9FO2/c1-4-6(7(9)5-2)8(10)11-3/h4-5H,1-2H2,3H3/b7-6-
InChIKeyASOGNDHOHRXNTN-SREVYHEPSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.75
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'}

Analyze methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2E)-5-methyl-4-(trifluoromethyl)hexa-2,4-dienoate
CID 15629584
Methyl 2-ethenyl-3-methylbut-2-enoate
CID 13759246
methyl (2E)-3-methylpenta-2,4-dienoate
CID 88774960
diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate
CID 10965919
diethyl (E)-2-ethenyl-3-fluorobut-2-enedioate
CID 11275956
methyl (2E)-4-fluoro-5-methylhexa-2,4-dienoate
CID 13397639
(2E)-3-(Trifluoromethyl)-2,4-pentadienoic acid ethyl ester
CID 15864509
methyl (2E,4E,6Z)-6-fluoro-3,7-dimethyl-8-oxoocta-2,4,6-trienoate
CID 12960810
Methyl 6-fluoro-3,7-dimethyl-8-oxoocta-2,4,6-trienoate
CID 54174068
Methyl 4-fluoro-2-methylhexa-2,4-dienoate
CID 73181446
ethyl (2E,4Z)-5-fluoro-2,4-dimethylhepta-2,4,6-trienoate
CID 87275390
ethyl (2E,4E)-5-fluoro-2-methylhepta-2,4,6-trienoate
CID 89054526

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate?
The IUPAC name of methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate (CID 144681824) is methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate.
What is the SMILES notation for methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate?
The canonical SMILES for methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate is C=C/C(F)=C(\C=C)C(=O)OC.
What is the InChIKey of methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate?
The InChIKey is ASOGNDHOHRXNTN-SREVYHEPSA-N. The full InChI is InChI=1S/C8H9FO2/c1-4-6(7(9)5-2)8(10)11-3/h4-5H,1-2H2,3H3/b7-6-.
What are the key properties of methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate?
methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate has a molecular weight of 156.16 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate is sourced from PubChem (CID 144681824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).