[(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine

C15H14ClFN2O2 — CID 105223458

IUPAC[(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)OCCO2)c1cccc(Cl)c1F
InChIInChI=1S/C15H14ClFN2O2/c16-11-3-1-2-10(14(11)17)15(19-18)9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,15,19H,6-7,18H2
InChIKeyJMNUODLTBHGXDG-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.80
Rot. Bonds3

About [(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine

[(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (PubChem CID 105223458) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is [(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
PubChem CID105223458
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name[(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)OCCO2)c1cccc(Cl)c1F
InChIInChI=1S/C15H14ClFN2O2/c16-11-3-1-2-10(14(11)17)15(19-18)9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,15,19H,6-7,18H2
InChIKeyJMNUODLTBHGXDG-UHFFFAOYSA-N
XLogP2.80
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.80
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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Related Compounds

[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105398142
[(3-chloro-2-fluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105223374
[(3-chloro-2-fluorophenyl)-phenylmethyl]hydrazine
CID 105223236
[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine
CID 105223276
[(2,4-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105216684
[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105261083
[(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105211193
[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine
CID 105333920
[(3-chloro-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105223421
1-(2,6-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483343
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine
CID 105200833
[(3-chloro-2-fluorophenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105223242

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (CID 105223458) is [(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is NNC(c1ccc2c(c1)OCCO2)c1cccc(Cl)c1F.
What is the InChIKey of [(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The InChIKey is JMNUODLTBHGXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-11-3-1-2-10(14(11)17)15(19-18)9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,15,19H,6-7,18H2.
What are the key properties of [(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
[(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine has a molecular weight of 308.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is sourced from PubChem (CID 105223458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).