[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine

C15H11ClF2N2O — CID 105207773

IUPAC[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(F)cc(F)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H11ClF2N2O/c16-10-1-2-13-8(3-10)6-14(21-13)15(20-19)9-4-11(17)7-12(18)5-9/h1-7,15,20H,19H2
InChIKeyPIXAJUANXDLOKE-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.92
Rot. Bonds3

About [(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine

[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine (PubChem CID 105207773) has the molecular formula C15H11ClF2N2O and a molecular weight of 308.72 g/mol. Its IUPAC name is [(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine
PubChem CID105207773
Molecular FormulaC15H11ClF2N2O
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(F)cc(F)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H11ClF2N2O/c16-10-1-2-13-8(3-10)6-14(21-13)15(20-19)9-4-11(17)7-12(18)5-9/h1-7,15,20H,19H2
InChIKeyPIXAJUANXDLOKE-UHFFFAOYSA-N
XLogP3.92
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine (CID 105207773) is [(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine is NNC(c1cc(F)cc(F)c1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of [(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine?
The InChIKey is PIXAJUANXDLOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O/c16-10-1-2-13-8(3-10)6-14(21-13)15(20-19)9-4-11(17)7-12(18)5-9/h1-7,15,20H,19H2.
What are the key properties of [(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine?
[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine has a molecular weight of 308.72 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105207773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).