[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine

C16H17FN2S — CID 105286394

IUPAC[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1cccc(F)c1)C1CSc2ccccc21
InChIInChI=1S/C16H17FN2S/c17-12-5-3-4-11(8-12)9-15(19-18)14-10-20-16-7-2-1-6-13(14)16/h1-8,14-15,19H,9-10,18H2
InChIKeyXOGOEPNVPWGQJA-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.09
Rot. Bonds4

About [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine

[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine (PubChem CID 105286394) has the molecular formula C16H17FN2S and a molecular weight of 288.39 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
PubChem CID105286394
Molecular FormulaC16H17FN2S
Molecular Weight288.39 g/mol
Exact Mass288.11
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1cccc(F)c1)C1CSc2ccccc21
InChIInChI=1S/C16H17FN2S/c17-12-5-3-4-11(8-12)9-15(19-18)14-10-20-16-7-2-1-6-13(14)16/h1-8,14-15,19H,9-10,18H2
InChIKeyXOGOEPNVPWGQJA-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.09
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-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 102868730
[2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 105286555
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethylethanamine
CID 105085901
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319554
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
CID 105136455
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318516
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105328740
[2-(3,5-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105412991
[cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methyl]hydrazine
CID 105314544
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-fluorophenyl)ethanamine
CID 105090261
[2-(3-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105204873
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340338

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine (CID 105286394) is [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine is NNC(Cc1cccc(F)c1)C1CSc2ccccc21.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine?
The InChIKey is XOGOEPNVPWGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2S/c17-12-5-3-4-11(8-12)9-15(19-18)14-10-20-16-7-2-1-6-13(14)16/h1-8,14-15,19H,9-10,18H2.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine?
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine has a molecular weight of 288.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105286394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).