1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine

C8H9FN2S — CID 130594782

IUPAC1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1sccc1F
InChIInChI=1S/C8H9FN2S/c1-2-3-7(11-10)8-6(9)4-5-12-8/h1,4-5,7,11H,3,10H2
InChIKeyAYLKOSJFILWWCO-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.41
Rot. Bonds3

About 1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine

1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine (PubChem CID 130594782) has the molecular formula C8H9FN2S and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine
PubChem CID130594782
Molecular FormulaC8H9FN2S
Molecular Weight184.24 g/mol
Exact Mass184.05
IUPAC Name1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1sccc1F
InChIInChI=1S/C8H9FN2S/c1-2-3-7(11-10)8-6(9)4-5-12-8/h1,4-5,7,11H,3,10H2
InChIKeyAYLKOSJFILWWCO-UHFFFAOYSA-N
XLogP1.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.41
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine
CID 105281540
1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine
CID 105307933
1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine
CID 105280681
1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine
CID 105290579
1-(5-bromothiophen-3-yl)but-3-ynylhydrazine
CID 105281586
[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 107362011
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
(1S)-1-(3-fluorothiophen-2-yl)propan-1-amine
CID 130691935
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
[2-(2-chloro-3-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105332778
1-(2-methyl-3-pyridinyl)but-3-ynylhydrazine
CID 105281507
1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine
CID 107970024

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine?
The IUPAC name of 1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine (CID 130594782) is 1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine?
The canonical SMILES for 1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine is C#CCC(NN)c1sccc1F.
What is the InChIKey of 1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine?
The InChIKey is AYLKOSJFILWWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2S/c1-2-3-7(11-10)8-6(9)4-5-12-8/h1,4-5,7,11H,3,10H2.
What are the key properties of 1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine?
1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine has a molecular weight of 184.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorothiophen-2-yl)but-3-ynylhydrazine is sourced from PubChem (CID 130594782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).