(2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine

C9H14FN — CID 144877773

IUPAC(2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NCCF
InChIInChI=1S/C9H14FN/c1-3-5-6-9(4-2)11-8-7-10/h3-6,11H,1,7-8H2,2H3/b6-5-,9-4+
InChIKeyGNZLWPIAWVLZRZ-CXBDEZGUSA-N
MW155.22 g/mol
LogP2.19
Rot. Bonds5

About (2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine

(2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine (PubChem CID 144877773) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine
PubChem CID144877773
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NCCF
InChIInChI=1S/C9H14FN/c1-3-5-6-9(4-2)11-8-7-10/h3-6,11H,1,7-8H2,2H3/b6-5-,9-4+
InChIKeyGNZLWPIAWVLZRZ-CXBDEZGUSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.19
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 (2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine (CID 144877773) is (2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine is C=C/C=C\C(=C/C)NCCF.
What is the InChIKey of (2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine?
The InChIKey is GNZLWPIAWVLZRZ-CXBDEZGUSA-N. The full InChI is InChI=1S/C9H14FN/c1-3-5-6-9(4-2)11-8-7-10/h3-6,11H,1,7-8H2,2H3/b6-5-,9-4+.
What are the key properties of (2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine?
(2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine has a molecular weight of 155.22 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 144877773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).