(3E)-3-fluorohexa-1,3,5-trien-2-amine

C6H8FN — CID 88544925

IUPAC(3E)-3-fluorohexa-1,3,5-trien-2-amine
SMILESC=C/C=C(/F)C(=C)N
InChIInChI=1S/C6H8FN/c1-3-4-6(7)5(2)8/h3-4H,1-2,8H2/b6-4+
InChIKeyBRGUJYBLARMXOJ-GQCTYLIASA-N
MW113.13 g/mol
LogP1.50
Rot. Bonds2

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

(3E)-3-fluorohexa-1,3,5-trien-2-amine (PubChem CID 88544925) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (3E)-3-fluorohexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-3-fluorohexa-1,3,5-trien-2-amine
PubChem CID88544925
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(3E)-3-fluorohexa-1,3,5-trien-2-amine
SMILESC=C/C=C(/F)C(=C)N
InChIInChI=1S/C6H8FN/c1-3-4-6(7)5(2)8/h3-4H,1-2,8H2/b6-4+
InChIKeyBRGUJYBLARMXOJ-GQCTYLIASA-N
XLogP1.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluorohexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-3-fluorohexa-1,3,5-trien-2-amine (CID 88544925) is (3E)-3-fluorohexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-3-fluorohexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-3-fluorohexa-1,3,5-trien-2-amine is C=C/C=C(/F)C(=C)N.
What is the InChIKey of (3E)-3-fluorohexa-1,3,5-trien-2-amine?
The InChIKey is BRGUJYBLARMXOJ-GQCTYLIASA-N. The full InChI is InChI=1S/C6H8FN/c1-3-4-6(7)5(2)8/h3-4H,1-2,8H2/b6-4+.
What are the key properties of (3E)-3-fluorohexa-1,3,5-trien-2-amine?
(3E)-3-fluorohexa-1,3,5-trien-2-amine has a molecular weight of 113.13 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluorohexa-1,3,5-trien-2-amine is sourced from PubChem (CID 88544925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).