(2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine

C7H10FN — CID 89154029

IUPAC(2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine
SMILESC=C/C=C(F)\C=C/CN
InChIInChI=1S/C7H10FN/c1-2-4-7(8)5-3-6-9/h2-5H,1,6,9H2/b5-3-,7-4+
InChIKeyQGWSWXBDMPPCKL-XKSOLRDRSA-N
MW127.16 g/mol
LogP1.54
Rot. Bonds3

About (2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine

(2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine (PubChem CID 89154029) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine
PubChem CID89154029
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine
SMILESC=C/C=C(F)\C=C/CN
InChIInChI=1S/C7H10FN/c1-2-4-7(8)5-3-6-9/h2-5H,1,6,9H2/b5-3-,7-4+
InChIKeyQGWSWXBDMPPCKL-XKSOLRDRSA-N
XLogP1.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.54
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 (2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine (CID 89154029) is (2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine is C=C/C=C(F)\C=C/CN.
What is the InChIKey of (2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine?
The InChIKey is QGWSWXBDMPPCKL-XKSOLRDRSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-4-7(8)5-3-6-9/h2-5H,1,6,9H2/b5-3-,7-4+.
What are the key properties of (2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine?
(2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-fluorohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 89154029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).