[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine

C15H12ClFN2S — CID 105398126

IUPAC[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(F)ccc1Cl)c1csc2ccccc12
InChIInChI=1S/C15H12ClFN2S/c16-13-6-5-9(17)7-11(13)15(19-18)12-8-20-14-4-2-1-3-10(12)14/h1-8,15,19H,18H2
InChIKeyRKEHWXZOPFOFMW-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.25
Rot. Bonds3

About [1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine

[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine (PubChem CID 105398126) has the molecular formula C15H12ClFN2S and a molecular weight of 306.79 g/mol. Its IUPAC name is [1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine
PubChem CID105398126
Molecular FormulaC15H12ClFN2S
Molecular Weight306.79 g/mol
Exact Mass306.04
IUPAC Name[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(F)ccc1Cl)c1csc2ccccc12
InChIInChI=1S/C15H12ClFN2S/c16-13-6-5-9(17)7-11(13)15(19-18)12-8-20-14-4-2-1-3-10(12)14/h1-8,15,19H,18H2
InChIKeyRKEHWXZOPFOFMW-UHFFFAOYSA-N
XLogP4.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.25
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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Related Compounds

N-[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105396957
1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049999
[1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine
CID 106765556
[1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105325318
3-[bromo-(2-chloro-4-fluorophenyl)methyl]-1-benzothiophene
CID 63441675
1-(1-benzothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998605
[(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105397805
[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
CID 106649802
[1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397828
1-(1-benzothiophen-3-yl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483920
[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105292167
[1-(1-benzothiophen-3-yl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105296678

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine (CID 105398126) is [1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine is NNC(c1cc(F)ccc1Cl)c1csc2ccccc12.
What is the InChIKey of [1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine?
The InChIKey is RKEHWXZOPFOFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2S/c16-13-6-5-9(17)7-11(13)15(19-18)12-8-20-14-4-2-1-3-10(12)14/h1-8,15,19H,18H2.
What are the key properties of [1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine?
[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine has a molecular weight of 306.79 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105398126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).