1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride

C9H12ClFN2 — CID 174494914

IUPAC1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride
SMILESC=CCN(F)Nc1ccccc1.Cl
InChIInChI=1S/C9H11FN2.ClH/c1-2-8-12(10)11-9-6-4-3-5-7-9;/h2-7,11H,1,8H2;1H
InChIKeyABXUNOWEJZKFGL-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.81
Rot. Bonds4

About 1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride

1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride (PubChem CID 174494914) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride.

Molecular Properties

Compound Name1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride
PubChem CID174494914
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride
SMILESC=CCN(F)Nc1ccccc1.Cl
InChIInChI=1S/C9H11FN2.ClH/c1-2-8-12(10)11-9-6-4-3-5-7-9;/h2-7,11H,1,8H2;1H
InChIKeyABXUNOWEJZKFGL-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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 1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride?
The IUPAC name of 1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride (CID 174494914) is 1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride.
What is the SMILES notation for 1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride?
The canonical SMILES for 1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride is C=CCN(F)Nc1ccccc1.Cl.
What is the InChIKey of 1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride?
The InChIKey is ABXUNOWEJZKFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2.ClH/c1-2-8-12(10)11-9-6-4-3-5-7-9;/h2-7,11H,1,8H2;1H.
What are the key properties of 1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride?
1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride has a molecular weight of 202.66 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride is sourced from PubChem (CID 174494914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).