fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate

C12H15FO4 — CID 144663607

IUPACfluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate
SMILESC/C=C\C=C(C(=O)CC(=O)OF)/C(=C\C)OC
InChIInChI=1S/C12H15FO4/c1-4-6-7-9(11(5-2)16-3)10(14)8-12(15)17-13/h4-7H,8H2,1-3H3/b6-4-,9-7-,11-5+
InChIKeyWAASCUCRVPGEEV-VZVYMQBCSA-N
MW242.25 g/mol
LogP2.43
Rot. Bonds6

About fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate

fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate (PubChem CID 144663607) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate.

Molecular Properties

Compound Namefluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate
PubChem CID144663607
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Namefluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate
SMILESC/C=C\C=C(C(=O)CC(=O)OF)/C(=C\C)OC
InChIInChI=1S/C12H15FO4/c1-4-6-7-9(11(5-2)16-3)10(14)8-12(15)17-13/h4-7H,8H2,1-3H3/b6-4-,9-7-,11-5+
InChIKeyWAASCUCRVPGEEV-VZVYMQBCSA-N
XLogP2.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate with MolForge

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Related Compounds

Csypyrone B2
CID 71519960
methyl (2Z,4E,6E)-7-fluoro-4-methyl-2-propanoylnona-2,4,6-trienoate
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4-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one
CID 135011367
Methyl 6-(2-oxo-3,4-dihydropyran-6-yl)cyclohepta-1,3,5-triene-1-carboxylate
CID 162411738
Methyl 4-methoxycyclohexa-1,3-diene-1-carboxylate
CID 12829804
3-Propanoylpyran-2-one
CID 21993049
Methyl 3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-oxopropanoate
CID 54697431
Methyl 6-oxocyclohexa-1,3-diene-1-carboxylate
CID 58499303
4-Methoxy-6-oxocyclohexa-1,3-diene-1-carboxylic acid
CID 67800005
Ethyl 3-(6-methoxycyclohexa-1,5-dien-1-yl)-3-oxopropanoate
CID 71200866
(E)-Methyl 6-(4-hydroxy-2-oxo-3-propionyl-2H-pyran-6-yl)hex-2-enoate
CID 86695811
dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate
CID 87087254

Frequently Asked Questions

What is the IUPAC name of fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate?
The IUPAC name of fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate (CID 144663607) is fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate.
What is the SMILES notation for fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate?
The canonical SMILES for fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate is C/C=C\C=C(C(=O)CC(=O)OF)/C(=C\C)OC.
What is the InChIKey of fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate?
The InChIKey is WAASCUCRVPGEEV-VZVYMQBCSA-N. The full InChI is InChI=1S/C12H15FO4/c1-4-6-7-9(11(5-2)16-3)10(14)8-12(15)17-13/h4-7H,8H2,1-3H3/b6-4-,9-7-,11-5+.
What are the key properties of fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate?
fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate has a molecular weight of 242.25 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate is sourced from PubChem (CID 144663607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).