(2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine

C8H10FN — CID 163869241

IUPAC(2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine
SMILESC#CC/C=C(F)\C(N)=C/C
InChIInChI=1S/C8H10FN/c1-3-5-6-7(9)8(10)4-2/h1,4,6H,5,10H2,2H3/b7-6+,8-4+
InChIKeyPJIOEUPDHUGTBB-CUXHJGIESA-N
MW139.17 g/mol
LogP1.73
Rot. Bonds2

About (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine

(2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine (PubChem CID 163869241) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine.

Molecular Properties

Compound Name(2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine
PubChem CID163869241
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine
SMILESC#CC/C=C(F)\C(N)=C/C
InChIInChI=1S/C8H10FN/c1-3-5-6-7(9)8(10)4-2/h1,4,6H,5,10H2,2H3/b7-6+,8-4+
InChIKeyPJIOEUPDHUGTBB-CUXHJGIESA-N
XLogP1.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylhex-2-en-5-yn-1-amine
CID 103392278
(E)-5-ethoxyhex-4-en-1-yne
CID 134893570
(E)-1-(methylamino)-3-propylhept-3-en-6-yn-2-one
CID 163416834
(1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine
CID 130372367
N-methyloct-4-en-7-ynamide
CID 175936352
(E)-4-fluorohept-4-en-1-yn-3-ol
CID 88636665
(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine
CID 144962675
(E)-1-fluorobut-1-en-1-amine
CID 174005766
(4Z,6Z)-6-methylnona-4,6-dien-1-yne
CID 143682413
[(E)-4-methyloct-4-en-1,7-diyn-3-yl] acetate
CID 88760475
4-amino-N-prop-2-ynylbutanamide
CID 24695167
(4E,8E)-5,9,13,17-tetramethyloctadeca-4,8,16-trien-1-yne
CID 140820993

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine?
The IUPAC name of (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine (CID 163869241) is (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine.
What is the SMILES notation for (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine?
The canonical SMILES for (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine is C#CC/C=C(F)\C(N)=C/C.
What is the InChIKey of (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine?
The InChIKey is PJIOEUPDHUGTBB-CUXHJGIESA-N. The full InChI is InChI=1S/C8H10FN/c1-3-5-6-7(9)8(10)4-2/h1,4,6H,5,10H2,2H3/b7-6+,8-4+.
What are the key properties of (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine?
(2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine has a molecular weight of 139.17 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine is sourced from PubChem (CID 163869241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).