(1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol

C6H8FNO — CID 156715081

IUPAC(1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol
SMILESNC(/C=C/F)=C/C=C/O
InChIInChI=1S/C6H8FNO/c7-4-3-6(8)2-1-5-9/h1-5,9H,8H2/b4-3+,5-1+,6-2+
InChIKeyRVDSUAHUEYADCB-RLPQXWSLSA-N
MW129.13 g/mol
LogP1.38
Rot. Bonds2

About (1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol

(1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol (PubChem CID 156715081) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is (1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol
PubChem CID156715081
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name(1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol
SMILESNC(/C=C/F)=C/C=C/O
InChIInChI=1S/C6H8FNO/c7-4-3-6(8)2-1-5-9/h1-5,9H,8H2/b4-3+,5-1+,6-2+
InChIKeyRVDSUAHUEYADCB-RLPQXWSLSA-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,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol?
The IUPAC name of (1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol (CID 156715081) is (1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol.
What is the SMILES notation for (1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol?
The canonical SMILES for (1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol is NC(/C=C/F)=C/C=C/O.
What is the InChIKey of (1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol?
The InChIKey is RVDSUAHUEYADCB-RLPQXWSLSA-N. The full InChI is InChI=1S/C6H8FNO/c7-4-3-6(8)2-1-5-9/h1-5,9H,8H2/b4-3+,5-1+,6-2+.
What are the key properties of (1E,3E,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol?
(1E,3E,5E)-4-amino-6-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,5E)-4-amino-6-fluorohexa-1,3,5-trien-1-ol is sourced from PubChem (CID 156715081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).