(2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide

C7H8ClFN2 — CID 143207214

IUPAC(2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(=C/C(=C)Cl)C(=C)F
InChIInChI=1S/C7H8ClFN2/c1-4(8)3-6(5(2)9)7(10)11/h3H,1-2H2,(H3,10,11)/b6-3+
InChIKeyYRUVUUHCLNWCOD-ZZXKWVIFSA-N
MW174.61 g/mol
LogP2.08
Rot. Bonds3

About (2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide

(2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide (PubChem CID 143207214) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is (2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide
PubChem CID143207214
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name(2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(=C/C(=C)Cl)C(=C)F
InChIInChI=1S/C7H8ClFN2/c1-4(8)3-6(5(2)9)7(10)11/h3H,1-2H2,(H3,10,11)/b6-3+
InChIKeyYRUVUUHCLNWCOD-ZZXKWVIFSA-N
XLogP2.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide?
The IUPAC name of (2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide (CID 143207214) is (2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide is [H]/N=C(N)/C(=C/C(=C)Cl)C(=C)F.
What is the InChIKey of (2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide?
The InChIKey is YRUVUUHCLNWCOD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-4(8)3-6(5(2)9)7(10)11/h3H,1-2H2,(H3,10,11)/b6-3+.
What are the key properties of (2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide?
(2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide has a molecular weight of 174.61 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide is sourced from PubChem (CID 143207214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).