(Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride

C7H8FNO — CID 142006424

IUPAC(Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride
SMILES[H]/N=C/C=C(\C=C/C)C(=O)F
InChIInChI=1S/C7H8FNO/c1-2-3-6(4-5-9)7(8)10/h2-5,9H,1H3/b3-2-,6-4+,9-5+
InChIKeyUBVGOXJSAAXCLL-HSPBAGEGSA-N
MW141.14 g/mol
LogP1.63
Rot. Bonds3

About (Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride

(Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride (PubChem CID 142006424) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is (Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride.

Molecular Properties

Compound Name(Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride
PubChem CID142006424
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name(Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride
SMILES[H]/N=C/C=C(\C=C/C)C(=O)F
InChIInChI=1S/C7H8FNO/c1-2-3-6(4-5-9)7(8)10/h2-5,9H,1H3/b3-2-,6-4+,9-5+
InChIKeyUBVGOXJSAAXCLL-HSPBAGEGSA-N
XLogP1.63
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride?
The IUPAC name of (Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride (CID 142006424) is (Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride.
What is the SMILES notation for (Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride?
The canonical SMILES for (Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride is [H]/N=C/C=C(\C=C/C)C(=O)F.
What is the InChIKey of (Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride?
The InChIKey is UBVGOXJSAAXCLL-HSPBAGEGSA-N. The full InChI is InChI=1S/C7H8FNO/c1-2-3-6(4-5-9)7(8)10/h2-5,9H,1H3/b3-2-,6-4+,9-5+.
What are the key properties of (Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride?
(Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride has a molecular weight of 141.14 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride is sourced from PubChem (CID 142006424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).