[(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride

C9H12ClFN2 — CID 11658487

IUPAC[(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride
SMILESCl.NNC/C(=C/F)c1ccccc1
InChIInChI=1S/C9H11FN2.ClH/c10-6-9(7-12-11)8-4-2-1-3-5-8;/h1-6,12H,7,11H2;1H/b9-6-;
InChIKeyRROKVPAOLJHHES-BORNJIKYSA-N
MW202.66 g/mol
LogP1.88
Rot. Bonds3

About [(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride

[(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride (PubChem CID 11658487) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is [(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride
PubChem CID11658487
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name[(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride
SMILESCl.NNC/C(=C/F)c1ccccc1
InChIInChI=1S/C9H11FN2.ClH/c10-6-9(7-12-11)8-4-2-1-3-5-8;/h1-6,12H,7,11H2;1H/b9-6-;
InChIKeyRROKVPAOLJHHES-BORNJIKYSA-N
XLogP1.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 51.88
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride?
The IUPAC name of [(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride (CID 11658487) is [(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride.
What is the SMILES notation for [(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride?
The canonical SMILES for [(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride is Cl.NNC/C(=C/F)c1ccccc1.
What is the InChIKey of [(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride?
The InChIKey is RROKVPAOLJHHES-BORNJIKYSA-N. The full InChI is InChI=1S/C9H11FN2.ClH/c10-6-9(7-12-11)8-4-2-1-3-5-8;/h1-6,12H,7,11H2;1H/b9-6-;.
What are the key properties of [(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride?
[(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride has a molecular weight of 202.66 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine;hydrochloride is sourced from PubChem (CID 11658487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).