(1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol

C6H8FNO — CID 143657138

IUPAC(1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol
SMILESC=C(F)/C(N)=C\C=C\O
InChIInChI=1S/C6H8FNO/c1-5(7)6(8)3-2-4-9/h2-4,9H,1,8H2/b4-2+,6-3+
InChIKeyTVVTVEWXZJCHJU-PIXFVPMGSA-N
MW129.13 g/mol
LogP1.38
Rot. Bonds2

About (1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol

(1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol (PubChem CID 143657138) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is (1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol
PubChem CID143657138
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name(1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol
SMILESC=C(F)/C(N)=C\C=C\O
InChIInChI=1S/C6H8FNO/c1-5(7)6(8)3-2-4-9/h2-4,9H,1,8H2/b4-2+,6-3+
InChIKeyTVVTVEWXZJCHJU-PIXFVPMGSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol?
The IUPAC name of (1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol (CID 143657138) is (1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol.
What is the SMILES notation for (1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol?
The canonical SMILES for (1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol is C=C(F)/C(N)=C\C=C\O.
What is the InChIKey of (1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol?
The InChIKey is TVVTVEWXZJCHJU-PIXFVPMGSA-N. The full InChI is InChI=1S/C6H8FNO/c1-5(7)6(8)3-2-4-9/h2-4,9H,1,8H2/b4-2+,6-3+.
What are the key properties of (1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol?
(1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol has a molecular weight of 129.13 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-amino-5-fluorohexa-1,3,5-trien-1-ol is sourced from PubChem (CID 143657138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).