(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid

C7H8FNO2 — CID 144836160

IUPAC(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid
SMILESC=C/C(N)=C(\C(=C)F)C(=O)O
InChIInChI=1S/C7H8FNO2/c1-3-5(9)6(4(2)8)7(10)11/h3H,1-2,9H2,(H,10,11)/b6-5-
InChIKeyBWDNFAQAXKHWRN-WAYWQWQTSA-N
MW157.14 g/mol
LogP0.95
Rot. Bonds3

About (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid

(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid (PubChem CID 144836160) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid
PubChem CID144836160
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid
SMILESC=C/C(N)=C(\C(=C)F)C(=O)O
InChIInChI=1S/C7H8FNO2/c1-3-5(9)6(4(2)8)7(10)11/h3H,1-2,9H2,(H,10,11)/b6-5-
InChIKeyBWDNFAQAXKHWRN-WAYWQWQTSA-N
XLogP0.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid 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

(E,2E)-2-(1-aminopropylidene)-3-fluorohex-3-enoic acid
CID 132264480
(2Z)-3-amino-2-ethenyl-4-fluoropenta-2,4-dienoic acid
CID 145701136
(2Z,3Z)-2-(1-aminoethylidene)-5-fluoro-4-methylhexa-3,5-dienoic acid
CID 142866304
2-Aminobenzene-5-ide-1-carboxylic acid;tungsten
CID 58666085
2-Aminobenzene-5-ide-1-carboxylic acid;yttrium
CID 59710026
2-Aminobenzene-4-ide-1-carboxylic acid;rutherfordium
CID 59924057
(2Z,4Z)-3-amino-2-ethenylhexa-2,4-dienoic acid
CID 88272195
3-Amino-2-ethylpenta-2,4-dienoic acid
CID 88423742
(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid
CID 88874568
(E,4Z)-4-(1-aminoethylidene)pent-2-enedioic acid
CID 89499758
(2E,4E)-5-amino-2-ethenylhepta-2,4,6-trienoic acid
CID 132147909
(2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid
CID 138510669

Frequently Asked Questions

What is the IUPAC name of (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid?
The IUPAC name of (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid (CID 144836160) is (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid?
The canonical SMILES for (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid is C=C/C(N)=C(\C(=C)F)C(=O)O.
What is the InChIKey of (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid?
The InChIKey is BWDNFAQAXKHWRN-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-3-5(9)6(4(2)8)7(10)11/h3H,1-2,9H2,(H,10,11)/b6-5-.
What are the key properties of (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid?
(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid has a molecular weight of 157.14 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 144836160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).