[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine

C15H11F3N2S — CID 105327623

IUPAC[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1F)c1cccc2ccsc12
InChIInChI=1S/C15H11F3N2S/c16-11-5-4-9(12(17)13(11)18)14(20-19)10-3-1-2-8-6-7-21-15(8)10/h1-7,14,20H,19H2
InChIKeyXLGLVBVWLJBUQD-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.87
Rot. Bonds3

About [1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine

[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 105327623) has the molecular formula C15H11F3N2S and a molecular weight of 308.33 g/mol. Its IUPAC name is [1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID105327623
Molecular FormulaC15H11F3N2S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1F)c1cccc2ccsc12
InChIInChI=1S/C15H11F3N2S/c16-11-5-4-9(12(17)13(11)18)14(20-19)10-3-1-2-8-6-7-21-15(8)10/h1-7,14,20H,19H2
InChIKeyXLGLVBVWLJBUQD-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.87
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-benzothiophen-7-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105327729
[1-benzothiophen-7-yl-(5-bromo-2-fluorophenyl)methyl]hydrazine
CID 105280614
[1-benzothiophen-7-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258549
[1-benzothiophen-7-yl-(4-fluorophenyl)methyl]hydrazine
CID 105192643
[1-benzothiophen-7-yl-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105327697
[1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201464
[1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215616
[1-benzothiophen-7-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251727
[1-benzothiophen-7-yl-(3-bromo-2-chlorophenyl)methyl]hydrazine
CID 105327736
[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103781
[1-benzothiophen-7-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105327742
[1-benzothiophen-7-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105327731

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 105327623) is [1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine is NNC(c1ccc(F)c(F)c1F)c1cccc2ccsc12.
What is the InChIKey of [1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is XLGLVBVWLJBUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2S/c16-11-5-4-9(12(17)13(11)18)14(20-19)10-3-1-2-8-6-7-21-15(8)10/h1-7,14,20H,19H2.
What are the key properties of [1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine?
[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine has a molecular weight of 308.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105327623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).