[(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite

C6H8FNO — CID 143191396

IUPAC[(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite
SMILESC=C(N)/C=C\C(=C)OF
InChIInChI=1S/C6H8FNO/c1-5(8)3-4-6(2)9-7/h3-4H,1-2,8H2/b4-3-
InChIKeyNZPWKEYBYOZVCK-ARJAWSKDSA-N
MW129.13 g/mol
LogP1.43
Rot. Bonds3

About [(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite

[(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite (PubChem CID 143191396) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is [(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite.

Molecular Properties

Compound Name[(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite
PubChem CID143191396
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name[(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite
SMILESC=C(N)/C=C\C(=C)OF
InChIInChI=1S/C6H8FNO/c1-5(8)3-4-6(2)9-7/h3-4H,1-2,8H2/b4-3-
InChIKeyNZPWKEYBYOZVCK-ARJAWSKDSA-N
XLogP1.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.43
H-Bond Donors ≤ 51
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 [(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite?
The IUPAC name of [(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite (CID 143191396) is [(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite.
What is the SMILES notation for [(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite?
The canonical SMILES for [(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite is C=C(N)/C=C\C(=C)OF.
What is the InChIKey of [(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite?
The InChIKey is NZPWKEYBYOZVCK-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H8FNO/c1-5(8)3-4-6(2)9-7/h3-4H,1-2,8H2/b4-3-.
What are the key properties of [(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite?
[(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite has a molecular weight of 129.13 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-5-aminohexa-1,3,5-trien-2-yl] hypofluorite is sourced from PubChem (CID 143191396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).