[1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine

C13H17FN2OS — CID 105225894

IUPAC[1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine
SMILESCCCSCC(NN)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H17FN2OS/c1-2-6-18-8-11(16-15)12-7-9-4-3-5-10(14)13(9)17-12/h3-5,7,11,16H,2,6,8,15H2,1H3
InChIKeyWHPXWDYJCZFBHR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.22
Rot. Bonds6

About [1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine

[1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine (PubChem CID 105225894) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is [1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine
PubChem CID105225894
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC Name[1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine
SMILESCCCSCC(NN)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H17FN2OS/c1-2-6-18-8-11(16-15)12-7-9-4-3-5-10(14)13(9)17-12/h3-5,7,11,16H,2,6,8,15H2,1H3
InChIKeyWHPXWDYJCZFBHR-UHFFFAOYSA-N
XLogP3.22
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105225526
[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105227309
2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244926
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
2-tert-butylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114728944
[1-(7-fluoro-1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214352
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
[1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247114
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135

Frequently Asked Questions

What is the IUPAC name of [1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine?
The IUPAC name of [1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine (CID 105225894) is [1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine is CCCSCC(NN)c1cc2cccc(F)c2o1.
What is the InChIKey of [1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine?
The InChIKey is WHPXWDYJCZFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-2-6-18-8-11(16-15)12-7-9-4-3-5-10(14)13(9)17-12/h3-5,7,11,16H,2,6,8,15H2,1H3.
What are the key properties of [1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine?
[1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine has a molecular weight of 268.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine is sourced from PubChem (CID 105225894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).