[4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride

C13H13ClF2N2O2 — CID 118138355

IUPAC[4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride
SMILESCOc1cc(Oc2cccc(F)c2F)ccc1NN.Cl
InChIInChI=1S/C13H12F2N2O2.ClH/c1-18-12-7-8(5-6-10(12)17-16)19-11-4-2-3-9(14)13(11)15;/h2-7,17H,16H2,1H3;1H
InChIKeyRZXFONGNNBHYAL-UHFFFAOYSA-N
MW302.71 g/mol
LogP3.47
Rot. Bonds4

About [4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride

[4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride (PubChem CID 118138355) has the molecular formula C13H13ClF2N2O2 and a molecular weight of 302.71 g/mol. Its IUPAC name is [4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride
PubChem CID118138355
Molecular FormulaC13H13ClF2N2O2
Molecular Weight302.71 g/mol
Exact Mass302.06
IUPAC Name[4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride
SMILESCOc1cc(Oc2cccc(F)c2F)ccc1NN.Cl
InChIInChI=1S/C13H12F2N2O2.ClH/c1-18-12-7-8(5-6-10(12)17-16)19-11-4-2-3-9(14)13(11)15;/h2-7,17H,16H2,1H3;1H
InChIKeyRZXFONGNNBHYAL-UHFFFAOYSA-N
XLogP3.47
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride?
The IUPAC name of [4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride (CID 118138355) is [4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride.
What is the SMILES notation for [4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride?
The canonical SMILES for [4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride is COc1cc(Oc2cccc(F)c2F)ccc1NN.Cl.
What is the InChIKey of [4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride?
The InChIKey is RZXFONGNNBHYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2.ClH/c1-18-12-7-8(5-6-10(12)17-16)19-11-4-2-3-9(14)13(11)15;/h2-7,17H,16H2,1H3;1H.
What are the key properties of [4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride?
[4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride has a molecular weight of 302.71 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride is sourced from PubChem (CID 118138355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).