[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine

C15H14ClFN2O2 — CID 105398142

IUPAC[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)OCCO2)c1cc(F)ccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-12-3-2-10(17)8-11(12)15(19-18)9-1-4-13-14(7-9)21-6-5-20-13/h1-4,7-8,15,19H,5-6,18H2
InChIKeyLQBVIMHPDZOYLT-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.80
Rot. Bonds3

About [(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine

[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (PubChem CID 105398142) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is [(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
PubChem CID105398142
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)OCCO2)c1cc(F)ccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-12-3-2-10(17)8-11(12)15(19-18)9-1-4-13-14(7-9)21-6-5-20-13/h1-4,7-8,15,19H,5-6,18H2
InChIKeyLQBVIMHPDZOYLT-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

[(2,4-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105216684
[(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105223458
[(2-chloro-5-fluorophenyl)-(4-chloro-3-fluorophenyl)methyl]hydrazine
CID 114025680
[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105261083
[(2,5-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105219495
[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 105398023
1-(5-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483271
[(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105260967
[(2-chloro-5-fluorophenyl)-pyridin-4-ylmethyl]hydrazine
CID 105397743
[(2-chloro-5-fluorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105397726
[(4-bromo-3-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105398038
[(2,5-difluorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192702

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (CID 105398142) is [(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is NNC(c1ccc2c(c1)OCCO2)c1cc(F)ccc1Cl.
What is the InChIKey of [(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The InChIKey is LQBVIMHPDZOYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-12-3-2-10(17)8-11(12)15(19-18)9-1-4-13-14(7-9)21-6-5-20-13/h1-4,7-8,15,19H,5-6,18H2.
What are the key properties of [(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
[(2-chloro-5-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 [(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is sourced from PubChem (CID 105398142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).