[1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine

C15H11F3N2O — CID 105218310

IUPAC[1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1cc2ccccc2o1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H11F3N2O/c16-10-6-5-9(13(17)14(10)18)15(20-19)12-7-8-3-1-2-4-11(8)21-12/h1-7,15,20H,19H2
InChIKeyKIAFWAAFPFQIQX-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.40
Rot. Bonds3

About [1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine

[1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 105218310) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is [1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID105218310
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name[1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1cc2ccccc2o1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H11F3N2O/c16-10-6-5-9(13(17)14(10)18)15(20-19)12-7-8-3-1-2-4-11(8)21-12/h1-7,15,20H,19H2
InChIKeyKIAFWAAFPFQIQX-UHFFFAOYSA-N
XLogP3.40
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-benzofuran-2-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105218365
1-(1-benzofuran-2-yl)-1-(2-bromo-3,4-difluorophenyl)-N-methylmethanamine
CID 107539018
[(5-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
CID 105223265
[1-benzofuran-2-yl-(2,3-dimethylphenyl)methyl]hydrazine
CID 105218327
1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 63089727
[1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106648877
[(2,3,4-trifluorophenyl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105305720
[(2,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105216507
[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305698
[1-benzofuran-2-yl(1-benzothiophen-2-yl)methyl]hydrazine
CID 105337766
1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 106645563
5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline
CID 105224051

Frequently Asked Questions

What is the IUPAC name of [1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 105218310) is [1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine is NNC(c1cc2ccccc2o1)c1ccc(F)c(F)c1F.
What is the InChIKey of [1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is KIAFWAAFPFQIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-10-6-5-9(13(17)14(10)18)15(20-19)12-7-8-3-1-2-4-11(8)21-12/h1-7,15,20H,19H2.
What are the key properties of [1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
[1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine has a molecular weight of 292.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105218310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).