(1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine

C9H14F2N2 — CID 163900913

IUPAC(1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine
SMILESCCN(/C=C/F)/C(C)=C\C=C(/N)F
InChIInChI=1S/C9H14F2N2/c1-3-13(7-6-10)8(2)4-5-9(11)12/h4-7H,3,12H2,1-2H3/b7-6+,8-4-,9-5-
InChIKeyQJUGQWFWELNNRB-BHNCQTOBSA-N
MW188.22 g/mol
LogP2.42
Rot. Bonds4

About (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine

(1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine (PubChem CID 163900913) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine
PubChem CID163900913
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name(1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine
SMILESCCN(/C=C/F)/C(C)=C\C=C(/N)F
InChIInChI=1S/C9H14F2N2/c1-3-13(7-6-10)8(2)4-5-9(11)12/h4-7H,3,12H2,1-2H3/b7-6+,8-4-,9-5-
InChIKeyQJUGQWFWELNNRB-BHNCQTOBSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine (CID 163900913) is (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine is CCN(/C=C/F)/C(C)=C\C=C(/N)F.
What is the InChIKey of (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine?
The InChIKey is QJUGQWFWELNNRB-BHNCQTOBSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-3-13(7-6-10)8(2)4-5-9(11)12/h4-7H,3,12H2,1-2H3/b7-6+,8-4-,9-5-.
What are the key properties of (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine?
(1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine has a molecular weight of 188.22 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 163900913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).