fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate

C7H8FNO2 — CID 142143693

IUPACfluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate
SMILESC=C(N)/C=C\C(=C)C(=O)OF
InChIInChI=1S/C7H8FNO2/c1-5(7(10)11-8)3-4-6(2)9/h3-4H,1-2,9H2/b4-3-
InChIKeyBWIPZYIMSRHMDS-ARJAWSKDSA-N
MW157.14 g/mol
LogP1.00
Rot. Bonds3

About fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate

fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate (PubChem CID 142143693) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate.

Molecular Properties

Compound Namefluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate
PubChem CID142143693
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Namefluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate
SMILESC=C(N)/C=C\C(=C)C(=O)OF
InChIInChI=1S/C7H8FNO2/c1-5(7(10)11-8)3-4-6(2)9/h3-4H,1-2,9H2/b4-3-
InChIKeyBWIPZYIMSRHMDS-ARJAWSKDSA-N
XLogP1.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze fluoro (3Z)-5-amino-2-methylidenehexa-3,5-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

fluoro (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoate
CID 144294545
(3Z)-4-amino-2-methylidenehexa-3,5-dienoic acid
CID 88561116
methyl (3Z)-4-amino-2-methylidenehexa-3,5-dienoate
CID 88561213
(3Z)-5-amino-2-methylidenehexa-3,5-dienoic acid
CID 89085989
(3Z,5E)-6-amino-2-methylidenehepta-3,5-dienoic acid
CID 89329001
(3E)-3-amino-2-methylidenehexa-3,5-dienoic acid
CID 121275739
(2E,3Z)-5-amino-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 138502887
(3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid
CID 138599362
Potassium 5-aminocyclohepta-1,4,6-triene-1-carboxylate
CID 142089430
ethane;fluoro (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoate
CID 144294544
(3Z)-5-amino-2-methylidenehexa-3,5-dienoic acid;ethane
CID 145243745
(3Z,5Z)-6-amino-2-methylidenehepta-3,5-dienoic acid
CID 148947427

Frequently Asked Questions

What is the IUPAC name of fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate?
The IUPAC name of fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate (CID 142143693) is fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate.
What is the SMILES notation for fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate?
The canonical SMILES for fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate is C=C(N)/C=C\C(=C)C(=O)OF.
What is the InChIKey of fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate?
The InChIKey is BWIPZYIMSRHMDS-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-5(7(10)11-8)3-4-6(2)9/h3-4H,1-2,9H2/b4-3-.
What are the key properties of fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate?
fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate has a molecular weight of 157.14 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate is sourced from PubChem (CID 142143693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).