[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine

C15H16ClFN2S — CID 105328328

IUPAC[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESNNC(c1cc2c(s1)CCCC2)c1ccc(Cl)cc1F
InChIInChI=1S/C15H16ClFN2S/c16-10-5-6-11(12(17)8-10)15(19-18)14-7-9-3-1-2-4-13(9)20-14/h5-8,15,19H,1-4,18H2
InChIKeyFFDTUODTFHKVLI-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.97
Rot. Bonds3

About [(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine

[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine (PubChem CID 105328328) has the molecular formula C15H16ClFN2S and a molecular weight of 310.83 g/mol. Its IUPAC name is [(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
PubChem CID105328328
Molecular FormulaC15H16ClFN2S
Molecular Weight310.83 g/mol
Exact Mass310.07
IUPAC Name[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESNNC(c1cc2c(s1)CCCC2)c1ccc(Cl)cc1F
InChIInChI=1S/C15H16ClFN2S/c16-10-5-6-11(12(17)8-10)15(19-18)14-7-9-3-1-2-4-13(9)20-14/h5-8,15,19H,1-4,18H2
InChIKeyFFDTUODTFHKVLI-UHFFFAOYSA-N
XLogP3.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.97
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-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105287303
[2-(4-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105342696
[4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312827
[2-(5-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 103053843
[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105329255
[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105283232
[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 106884546
[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 105320479
[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 107562528
[(4-chloro-2-fluorophenyl)-(3,5-dichlorophenyl)methyl]hydrazine
CID 105328393
(2-chloro-4,5-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 107476054
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 105011890

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine (CID 105328328) is [(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine is NNC(c1cc2c(s1)CCCC2)c1ccc(Cl)cc1F.
What is the InChIKey of [(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The InChIKey is FFDTUODTFHKVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c16-10-5-6-11(12(17)8-10)15(19-18)14-7-9-3-1-2-4-13(9)20-14/h5-8,15,19H,1-4,18H2.
What are the key properties of [(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine has a molecular weight of 310.83 g/mol, XLogP of 3.97, 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)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105328328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).