(3E,5E)-6-fluorohepta-1,3,5-trien-3-amine

C7H10FN — CID 90222218

IUPAC(3E,5E)-6-fluorohepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C(/C)F
InChIInChI=1S/C7H10FN/c1-3-7(9)5-4-6(2)8/h3-5H,1,9H2,2H3/b6-4+,7-5+
InChIKeyADFYWHQJSHBBIN-YDFGWWAZSA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

About (3E,5E)-6-fluorohepta-1,3,5-trien-3-amine

(3E,5E)-6-fluorohepta-1,3,5-trien-3-amine (PubChem CID 90222218) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3E,5E)-6-fluorohepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-fluorohepta-1,3,5-trien-3-amine
PubChem CID90222218
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3E,5E)-6-fluorohepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C(/C)F
InChIInChI=1S/C7H10FN/c1-3-7(9)5-4-6(2)8/h3-5H,1,9H2,2H3/b6-4+,7-5+
InChIKeyADFYWHQJSHBBIN-YDFGWWAZSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.89
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,5E)-6-fluorohepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-6-fluorohepta-1,3,5-trien-3-amine (CID 90222218) is (3E,5E)-6-fluorohepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-6-fluorohepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-6-fluorohepta-1,3,5-trien-3-amine is C=C/C(N)=C\C=C(/C)F.
What is the InChIKey of (3E,5E)-6-fluorohepta-1,3,5-trien-3-amine?
The InChIKey is ADFYWHQJSHBBIN-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-7(9)5-4-6(2)8/h3-5H,1,9H2,2H3/b6-4+,7-5+.
What are the key properties of (3E,5E)-6-fluorohepta-1,3,5-trien-3-amine?
(3E,5E)-6-fluorohepta-1,3,5-trien-3-amine has a molecular weight of 127.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluorohepta-1,3,5-trien-3-amine is sourced from PubChem (CID 90222218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).