methyl (2E,4E)-6-fluorohexa-2,4-dienoate

C7H9FO2 — CID 25229464

IUPACmethyl (2E,4E)-6-fluorohexa-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/CF
InChIInChI=1S/C7H9FO2/c1-10-7(9)5-3-2-4-6-8/h2-5H,6H2,1H3/b4-2+,5-3+
InChIKeyYCGXVZLRQYWEGO-ZUVMSYQZSA-N
MW144.14 g/mol
LogP1.24
Rot. Bonds3

About methyl (2E,4E)-6-fluorohexa-2,4-dienoate

methyl (2E,4E)-6-fluorohexa-2,4-dienoate (PubChem CID 25229464) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is methyl (2E,4E)-6-fluorohexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-6-fluorohexa-2,4-dienoate
PubChem CID25229464
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Namemethyl (2E,4E)-6-fluorohexa-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/CF
InChIInChI=1S/C7H9FO2/c1-10-7(9)5-3-2-4-6-8/h2-5H,6H2,1H3/b4-2+,5-3+
InChIKeyYCGXVZLRQYWEGO-ZUVMSYQZSA-N
XLogP1.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.24
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 Crotonate
CID 638132
Ethyl sorbate
CID 1550470
Methyl sorbate
CID 5323650
2-Butenoic acid, ethyl ester
CID 12191
Allyl sorbate
CID 6435833
Ethyl trans-crotonate
CID 429065
Vinyl crotonate
CID 5365800
Propyl crotonate
CID 5365824
2-Propen-1-yl 2-butenoate
CID 227240
Propyl sorbate
CID 5368950
Ethyl hexa-2,4-dienoate
CID 16970
cis-Ethyl crotonate
CID 5354263

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-6-fluorohexa-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-6-fluorohexa-2,4-dienoate (CID 25229464) is methyl (2E,4E)-6-fluorohexa-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-6-fluorohexa-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-6-fluorohexa-2,4-dienoate is COC(=O)/C=C/C=C/CF.
What is the InChIKey of methyl (2E,4E)-6-fluorohexa-2,4-dienoate?
The InChIKey is YCGXVZLRQYWEGO-ZUVMSYQZSA-N. The full InChI is InChI=1S/C7H9FO2/c1-10-7(9)5-3-2-4-6-8/h2-5H,6H2,1H3/b4-2+,5-3+.
What are the key properties of methyl (2E,4E)-6-fluorohexa-2,4-dienoate?
methyl (2E,4E)-6-fluorohexa-2,4-dienoate has a molecular weight of 144.14 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-6-fluorohexa-2,4-dienoate is sourced from PubChem (CID 25229464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).