(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol

C₈H₁₁F₂NO — CID 142559493

About (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol

(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol (PubChem CID 142559493) has the molecular formula C₈H₁₁F₂NO and a molecular weight of 175.18 g/mol. Its IUPAC name is (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol.

Molecular Properties

• Compound Name: (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol
• PubChem CID: 142559493
• Molecular Formula: C₈H₁₁F₂NO
• Molecular Weight: 175.18 g/mol
• Exact Mass: 175.08
• IUPAC Name: (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol
• SMILES: C=C(F)/C(F)=C\C(=C)C(N)CO
• InChI: InChI=1S/C8H11F2NO/c1-5(8(11)4-12)3-7(10)6(2)9/h3,8,12H,1-2,4,11H2/b7-3+
• InChIKey: HRJRQALBWAIXPM-XVNBXDOJSA-N
• XLogP: 1.20
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.18
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol?

The IUPAC name of (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol (CID 142559493) is (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol.

What is the SMILES notation for (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol?

The canonical SMILES for (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol is C=C(F)/C(F)=C\C(=C)C(N)CO.

What is the InChIKey of (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol?

The InChIKey is HRJRQALBWAIXPM-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-5(8(11)4-12)3-7(10)6(2)9/h3,8,12H,1-2,4,11H2/b7-3+.

What are the key properties of (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol?

(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol has a molecular weight of 175.18 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol is sourced from PubChem (CID 142559493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142559493 — identifiers, structure, computed properties (public domain)

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