[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine

C11H11F3N2S — CID 105215688

IUPAC[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
SMILESNNC(Cc1csc2ccccc12)C(F)(F)F
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)10(16-15)5-7-6-17-9-4-2-1-3-8(7)9/h1-4,6,10,16H,5,15H2
InChIKeyIQFKRMNDKQUIKS-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.84
Rot. Bonds3

About [3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine

[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine (PubChem CID 105215688) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is [3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
PubChem CID105215688
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
SMILESNNC(Cc1csc2ccccc12)C(F)(F)F
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)10(16-15)5-7-6-17-9-4-2-1-3-8(7)9/h1-4,6,10,16H,5,15H2
InChIKeyIQFKRMNDKQUIKS-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.84
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

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[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine
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[2-(1-benzothiophen-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]hydrazine
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2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
[2-(1-benzothiophen-3-yl)-1-(3,4-difluorophenyl)ethyl]hydrazine
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[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105291760
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197341
[2-(1-benzothiophen-3-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222485
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
[1-(1-benzothiophen-3-yl)-4-methoxypentan-2-yl]hydrazine
CID 105267059

Frequently Asked Questions

What is the IUPAC name of [3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine?
The IUPAC name of [3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine (CID 105215688) is [3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine.
What is the SMILES notation for [3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine?
The canonical SMILES for [3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine is NNC(Cc1csc2ccccc12)C(F)(F)F.
What is the InChIKey of [3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine?
The InChIKey is IQFKRMNDKQUIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c12-11(13,14)10(16-15)5-7-6-17-9-4-2-1-3-8(7)9/h1-4,6,10,16H,5,15H2.
What are the key properties of [3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine?
[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine has a molecular weight of 260.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine is sourced from PubChem (CID 105215688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).