[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol

C₁₀H₁₆FNO — CID 144509395

About [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol

[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol (PubChem CID 144509395) has the molecular formula C₁₀H₁₆FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol.

Molecular Properties

• Compound Name: [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol
• PubChem CID: 144509395
• Molecular Formula: C₁₀H₁₆FNO
• Molecular Weight: 185.24 g/mol
• Exact Mass: 185.12
• IUPAC Name: [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol
• SMILES: CC/C=C\C(=C/C=C/F)CNCO
• InChI: InChI=1S/C10H16FNO/c1-2-3-5-10(6-4-7-11)8-12-9-13/h3-7,12-13H,2,8-9H2,1H3/b5-3-,7-4+,10-6+
• InChIKey: FQZLINHDVQHDGO-YPXAAESQSA-N
• XLogP: 1.90
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	185.24
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol?

The IUPAC name of [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol (CID 144509395) is [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol.

What is the SMILES notation for [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol?

The canonical SMILES for [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol is CC/C=C\C(=C/C=C/F)CNCO.

What is the InChIKey of [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol?

The InChIKey is FQZLINHDVQHDGO-YPXAAESQSA-N. The full InChI is InChI=1S/C10H16FNO/c1-2-3-5-10(6-4-7-11)8-12-9-13/h3-7,12-13H,2,8-9H2,1H3/b5-3-,7-4+,10-6+.

What are the key properties of [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol?

[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol has a molecular weight of 185.24 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol is sourced from PubChem (CID 144509395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144509395 — identifiers, structure, computed properties (public domain)

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