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

C15H14ClFN2S — CID 105328374

IUPAC[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)cc1F)C1Cc2ccccc2S1
InChIInChI=1S/C15H14ClFN2S/c16-10-5-6-11(12(17)8-10)15(19-18)14-7-9-3-1-2-4-13(9)20-14/h1-6,8,14-15,19H,7,18H2
InChIKeyMBGBRKLMZKJRNI-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.70
Rot. Bonds3

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

[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine (PubChem CID 105328374) has the molecular formula C15H14ClFN2S and a molecular weight of 308.81 g/mol. Its IUPAC name is [(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
PubChem CID105328374
Molecular FormulaC15H14ClFN2S
Molecular Weight308.81 g/mol
Exact Mass308.06
IUPAC Name[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)cc1F)C1Cc2ccccc2S1
InChIInChI=1S/C15H14ClFN2S/c16-10-5-6-11(12(17)8-10)15(19-18)14-7-9-3-1-2-4-13(9)20-14/h1-6,8,14-15,19H,7,18H2
InChIKeyMBGBRKLMZKJRNI-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.70
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

[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 103053312
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
[(4-chloro-2-fluorophenyl)-cycloheptylmethyl]hydrazine
CID 105217855
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105145502
[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105287045
[(4-chloro-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232537
[cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 106650324
4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline
CID 79222390
N-[(4-chlorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 105076227
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097285
[2,3-dihydro-1-benzothiophen-2-yl-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332622

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine (CID 105328374) is [(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine is NNC(c1ccc(Cl)cc1F)C1Cc2ccccc2S1.
What is the InChIKey of [(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine?
The InChIKey is MBGBRKLMZKJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2S/c16-10-5-6-11(12(17)8-10)15(19-18)14-7-9-3-1-2-4-13(9)20-14/h1-6,8,14-15,19H,7,18H2.
What are the key properties of [(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine?
[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine has a molecular weight of 308.81 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105328374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).