(3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol

C6H8FNO — CID 143436396

IUPAC(3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol
SMILESC=C(N)/C=C(/F)C(=C)O
InChIInChI=1S/C6H8FNO/c1-4(8)3-6(7)5(2)9/h3,9H,1-2,8H2/b6-3+
InChIKeyNGSUSGIDYDFDTF-ZZXKWVIFSA-N
MW129.13 g/mol
LogP1.38
Rot. Bonds2

About (3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol

(3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol (PubChem CID 143436396) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is (3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol
PubChem CID143436396
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name(3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol
SMILESC=C(N)/C=C(/F)C(=C)O
InChIInChI=1S/C6H8FNO/c1-4(8)3-6(7)5(2)9/h3,9H,1-2,8H2/b6-3+
InChIKeyNGSUSGIDYDFDTF-ZZXKWVIFSA-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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Related Compounds

[(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite
CID 143191396
(3E)-5-amino-4-fluorohexa-1,3,5-trien-2-ol
CID 144251329
5-Amino-7-fluorocyclohepta-1,4,6-trien-1-ol
CID 156715066
(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol
CID 142544255
(3Z)-5-aminohexa-1,3,5-trien-2-ol
CID 59906272
(2E,4E)-5-aminohepta-2,4,6-trien-3-ol
CID 88891478
(3Z,5E)-5-aminohepta-1,3,5-trien-2-ol
CID 89221417
(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol
CID 89336217
(3Z,5Z)-3-aminohepta-1,3,5-trien-4-ol
CID 90377140
(3E,5Z)-3-aminohepta-1,3,5-trien-2-ol
CID 117722370
(3E)-3-aminohexa-1,3,5-trien-2-ol
CID 126492027
(3E)-4-aminohexa-1,3,5-trien-2-ol
CID 141872484

Frequently Asked Questions

What is the IUPAC name of (3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol?
The IUPAC name of (3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol (CID 143436396) is (3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol?
The canonical SMILES for (3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol is C=C(N)/C=C(/F)C(=C)O.
What is the InChIKey of (3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol?
The InChIKey is NGSUSGIDYDFDTF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H8FNO/c1-4(8)3-6(7)5(2)9/h3,9H,1-2,8H2/b6-3+.
What are the key properties of (3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol?
(3E)-5-amino-3-fluorohexa-1,3,5-trien-2-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 (3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol is sourced from PubChem (CID 143436396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).