[1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine

C10H9F3N2S — CID 105215616

IUPAC[1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine
SMILESNNC(c1cccc2ccsc12)C(F)(F)F
InChIInChI=1S/C10H9F3N2S/c11-10(12,13)9(15-14)7-3-1-2-6-4-5-16-8(6)7/h1-5,9,15H,14H2
InChIKeyQCYKBJMKNFRRST-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.97
Rot. Bonds2

About [1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine

[1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine (PubChem CID 105215616) has the molecular formula C10H9F3N2S and a molecular weight of 246.26 g/mol. Its IUPAC name is [1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine
PubChem CID105215616
Molecular FormulaC10H9F3N2S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name[1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine
SMILESNNC(c1cccc2ccsc12)C(F)(F)F
InChIInChI=1S/C10H9F3N2S/c11-10(12,13)9(15-14)7-3-1-2-6-4-5-16-8(6)7/h1-5,9,15H,14H2
InChIKeyQCYKBJMKNFRRST-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.97
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'}

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Related Compounds

[1-benzothiophen-7-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105327729
[1-(1-benzothiophen-7-yl)-2-methylpropyl]hydrazine
CID 105199493
[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105327623
[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226376
[1-benzothiophen-7-yl-(4-fluorophenyl)methyl]hydrazine
CID 105192643
[1-benzothiophen-7-yl-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105327697
[1-benzothiophen-7-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258549
[1-benzothiophen-7-yl-(5-bromo-2-fluorophenyl)methyl]hydrazine
CID 105280614
[1-benzothiophen-7-yl-(3-bromo-2-chlorophenyl)methyl]hydrazine
CID 105327736
[1-benzothiophen-7-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251727
[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103781
[1-(1-benzothiophen-7-yl)-2-methoxypropyl]hydrazine
CID 105246859

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine (CID 105215616) is [1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine is NNC(c1cccc2ccsc12)C(F)(F)F.
What is the InChIKey of [1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine?
The InChIKey is QCYKBJMKNFRRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S/c11-10(12,13)9(15-14)7-3-1-2-6-4-5-16-8(6)7/h1-5,9,15H,14H2.
What are the key properties of [1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine?
[1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine has a molecular weight of 246.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine is sourced from PubChem (CID 105215616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).