[2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine

C12H14F2N2O2S — CID 164708080

IUPAC[2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine
SMILESCOc1cc2cc(C(F)(F)CNN)sc2cc1OC
InChIInChI=1S/C12H14F2N2O2S/c1-17-8-3-7-4-11(12(13,14)6-16-15)19-10(7)5-9(8)18-2/h3-5,16H,6,15H2,1-2H3
InChIKeyLYUFNXNOQNFQLI-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.47
Rot. Bonds5

About [2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine

[2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine (PubChem CID 164708080) has the molecular formula C12H14F2N2O2S and a molecular weight of 288.32 g/mol. Its IUPAC name is [2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine.

Molecular Properties

Compound Name[2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine
PubChem CID164708080
Molecular FormulaC12H14F2N2O2S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name[2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine
SMILESCOc1cc2cc(C(F)(F)CNN)sc2cc1OC
InChIInChI=1S/C12H14F2N2O2S/c1-17-8-3-7-4-11(12(13,14)6-16-15)19-10(7)5-9(8)18-2/h3-5,16H,6,15H2,1-2H3
InChIKeyLYUFNXNOQNFQLI-UHFFFAOYSA-N
XLogP2.47
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine?
The IUPAC name of [2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine (CID 164708080) is [2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine.
What is the SMILES notation for [2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine?
The canonical SMILES for [2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine is COc1cc2cc(C(F)(F)CNN)sc2cc1OC.
What is the InChIKey of [2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine?
The InChIKey is LYUFNXNOQNFQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2S/c1-17-8-3-7-4-11(12(13,14)6-16-15)19-10(7)5-9(8)18-2/h3-5,16H,6,15H2,1-2H3.
What are the key properties of [2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine?
[2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine has a molecular weight of 288.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine is sourced from PubChem (CID 164708080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).