[(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine

C7H10ClFN2 — CID 154687888

IUPAC[(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine
SMILESC=C(F)/C=C(Cl)\C(=C/C)NN
InChIInChI=1S/C7H10ClFN2/c1-3-7(11-10)6(8)4-5(2)9/h3-4,11H,2,10H2,1H3/b6-4+,7-3-
InChIKeyFXFIKWWLHXBZHC-KUSYPTLRSA-N
MW176.62 g/mol
LogP1.96
Rot. Bonds3

About [(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine

[(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine (PubChem CID 154687888) has the molecular formula C7H10ClFN2 and a molecular weight of 176.62 g/mol. Its IUPAC name is [(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine.

Molecular Properties

Compound Name[(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine
PubChem CID154687888
Molecular FormulaC7H10ClFN2
Molecular Weight176.62 g/mol
Exact Mass176.05
IUPAC Name[(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine
SMILESC=C(F)/C=C(Cl)\C(=C/C)NN
InChIInChI=1S/C7H10ClFN2/c1-3-7(11-10)6(8)4-5(2)9/h3-4,11H,2,10H2,1H3/b6-4+,7-3-
InChIKeyFXFIKWWLHXBZHC-KUSYPTLRSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]hydrazine
CID 145347288
[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]hydrazine
CID 146285260
[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]hydrazine
CID 167158859
[(3E)-2-fluorohexa-1,3,5-trien-3-yl]hydrazine
CID 157043314
3-Chloro-6-methyl-1,2-dihydropyridazine
CID 89001113
[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine
CID 142912551
[(2E,4E)-4-chlorohepta-2,4,6-trien-3-yl]hydrazine;ethane
CID 144239349
[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]hydrazine
CID 144642196
ethane;[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]hydrazine
CID 145347287
[(2E,4E)-4-chlorohepta-2,4,6-trien-3-yl]hydrazine
CID 144239350
[(2E)-4-chloropenta-2,4-dien-2-yl]hydrazine
CID 145075833

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine?
The IUPAC name of [(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine (CID 154687888) is [(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine.
What is the SMILES notation for [(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine?
The canonical SMILES for [(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine is C=C(F)/C=C(Cl)\C(=C/C)NN.
What is the InChIKey of [(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine?
The InChIKey is FXFIKWWLHXBZHC-KUSYPTLRSA-N. The full InChI is InChI=1S/C7H10ClFN2/c1-3-7(11-10)6(8)4-5(2)9/h3-4,11H,2,10H2,1H3/b6-4+,7-3-.
What are the key properties of [(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine?
[(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine has a molecular weight of 176.62 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine is sourced from PubChem (CID 154687888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).