2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine

C12H16FN3O — CID 105244926

IUPAC2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
SMILESCN(C)CC(NN)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H16FN3O/c1-16(2)7-10(15-14)11-6-8-4-3-5-9(13)12(8)17-11/h3-6,10,15H,7,14H2,1-2H3
InChIKeyODXDLMMURPXEOP-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.64
Rot. Bonds4

About 2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine

2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine (PubChem CID 105244926) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
PubChem CID105244926
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
SMILESCN(C)CC(NN)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H16FN3O/c1-16(2)7-10(15-14)11-6-8-4-3-5-9(13)12(8)17-11/h3-6,10,15H,7,14H2,1-2H3
InChIKeyODXDLMMURPXEOP-UHFFFAOYSA-N
XLogP1.64
TPSA54.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.64
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-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105227309
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
[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)-2-methoxypropyl]hydrazine
CID 105247114
[2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)propyl]hydrazine
CID 105339223
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
[(7-fluoro-1-benzofuran-2-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253565
[(3,5-dichlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105339255
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine?
The IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine (CID 105244926) is 2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine?
The canonical SMILES for 2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine is CN(C)CC(NN)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine?
The InChIKey is ODXDLMMURPXEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-16(2)7-10(15-14)11-6-8-4-3-5-9(13)12(8)17-11/h3-6,10,15H,7,14H2,1-2H3.
What are the key properties of 2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine?
2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine has a molecular weight of 237.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine is sourced from PubChem (CID 105244926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).