(Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid

C7H8FNO2 — CID 142463630

IUPAC(Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid
SMILES[H]/N=C(F)/C=C(\C=C/C)C(=O)O
InChIInChI=1S/C7H8FNO2/c1-2-3-5(7(10)11)4-6(8)9/h2-4,9H,1H3,(H,10,11)/b3-2-,5-4+,9-6-
InChIKeyRATMGHBOYGBRES-RJBUPTILSA-N
MW157.14 g/mol
LogP1.52
Rot. Bonds3

About (Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid

(Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid (PubChem CID 142463630) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is (Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid.

Molecular Properties

Compound Name(Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid
PubChem CID142463630
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name(Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid
SMILES[H]/N=C(F)/C=C(\C=C/C)C(=O)O
InChIInChI=1S/C7H8FNO2/c1-2-3-5(7(10)11)4-6(8)9/h2-4,9H,1H3,(H,10,11)/b3-2-,5-4+,9-6-
InChIKeyRATMGHBOYGBRES-RJBUPTILSA-N
XLogP1.52
TPSA61.15 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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,2E)-5-fluoro-2-[(2Z)-2-fluoroiminoethylidene]hex-3-enoic acid
CID 168929983
(3Z)-3-[3-fluoro-4-(iminomethylidene)cyclohexa-2,5-dien-1-ylidene]cyclopenta-1,4-diene-1-carboxylic acid
CID 176533781
4-Imino-2-methylpent-2-enoic acid
CID 57056935
4-Iminocyclohexa-1,5-diene-1-carboxylic acid
CID 89037446
(1E,4Z,7Z,9Z)-3-iminocyclododeca-1,4,7,9,11-pentaene-1-carboxylic acid
CID 90687438
2-(2-Iminoethylidene)pent-3-enoic acid
CID 123230780
2-Ethenyl-5-imino-4-methylidenehex-2-enoic acid
CID 123678860
2-Ethylidene-5-iminopent-3-enoic acid
CID 123689106
(E)-2-ethenyl-4-iminopent-2-enoic acid
CID 123696941
(Z,2E)-2-(2-iminoethylidene)pent-3-enoic acid
CID 126486880
(2E,4Z)-6-imino-2-methylhepta-2,4-dienedioic acid
CID 141922849
(Z,2E)-2-ethylidene-5-iminopent-3-enoic acid
CID 146228852

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid?
The IUPAC name of (Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid (CID 142463630) is (Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid.
What is the SMILES notation for (Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid?
The canonical SMILES for (Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid is [H]/N=C(F)/C=C(\C=C/C)C(=O)O.
What is the InChIKey of (Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid?
The InChIKey is RATMGHBOYGBRES-RJBUPTILSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-2-3-5(7(10)11)4-6(8)9/h2-4,9H,1H3,(H,10,11)/b3-2-,5-4+,9-6-.
What are the key properties of (Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid?
(Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid has a molecular weight of 157.14 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(2-fluoro-2-iminoethylidene)pent-3-enoic acid is sourced from PubChem (CID 142463630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).