1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol

C₁₀H₁₈FNO₂ — CID 123925125

About 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol

1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol (PubChem CID 123925125) has the molecular formula C₁₀H₁₈FNO₂ and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol
• PubChem CID: 123925125
• Molecular Formula: C₁₀H₁₈FNO₂
• Molecular Weight: 203.26 g/mol
• Exact Mass: 203.13
• IUPAC Name: 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol
• SMILES: CC=C(F)C=C(CN)OCC(C)(C)O
• InChI: InChI=1S/C10H18FNO2/c1-4-8(11)5-9(6-12)14-7-10(2,3)13/h4-5,13H,6-7,12H2,1-3H3
• InChIKey: VOAXMMQUMCJUOY-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 55.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	203.26
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol?

The IUPAC name of 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol (CID 123925125) is 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol.

What is the SMILES notation for 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol?

The canonical SMILES for 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol is CC=C(F)C=C(CN)OCC(C)(C)O.

What is the InChIKey of 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol?

The InChIKey is VOAXMMQUMCJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-4-8(11)5-9(6-12)14-7-10(2,3)13/h4-5,13H,6-7,12H2,1-3H3.

What are the key properties of 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol?

1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol has a molecular weight of 203.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol is sourced from PubChem (CID 123925125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123925125 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.