[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine

C14H19FN2OS — CID 105227309

IUPAC[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
SMILESCCC(C)SCC(NN)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H19FN2OS/c1-3-9(2)19-8-12(17-16)13-7-10-5-4-6-11(15)14(10)18-13/h4-7,9,12,17H,3,8,16H2,1-2H3
InChIKeyQUDJLTPMJCIGTA-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.61
Rot. Bonds6

About [2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine

[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine (PubChem CID 105227309) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is [2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
PubChem CID105227309
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
SMILESCCC(C)SCC(NN)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H19FN2OS/c1-3-9(2)19-8-12(17-16)13-7-10-5-4-6-11(15)14(10)18-13/h4-7,9,12,17H,3,8,16H2,1-2H3
InChIKeyQUDJLTPMJCIGTA-UHFFFAOYSA-N
XLogP3.61
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105225526
[1-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine
CID 105225894
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
[1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247114
(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
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
[2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)propyl]hydrazine
CID 105339223

Frequently Asked Questions

What is the IUPAC name of [2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine?
The IUPAC name of [2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine (CID 105227309) is [2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine is CCC(C)SCC(NN)c1cc2cccc(F)c2o1.
What is the InChIKey of [2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine?
The InChIKey is QUDJLTPMJCIGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-3-9(2)19-8-12(17-16)13-7-10-5-4-6-11(15)14(10)18-13/h4-7,9,12,17H,3,8,16H2,1-2H3.
What are the key properties of [2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine?
[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine has a molecular weight of 282.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105227309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).