[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine

C13H17F3N2S — CID 105328932

IUPAC[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)C1Cc2ccccc2S1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)7-3-5-10(18-17)12-8-9-4-1-2-6-11(9)19-12/h1-2,4,6,10,12,18H,3,5,7-8,17H2
InChIKeyBPBVAWSCPPOCTK-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.27
Rot. Bonds5

About [1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine

[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine (PubChem CID 105328932) has the molecular formula C13H17F3N2S and a molecular weight of 290.35 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine
PubChem CID105328932
Molecular FormulaC13H17F3N2S
Molecular Weight290.35 g/mol
Exact Mass290.11
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)C1Cc2ccccc2S1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)7-3-5-10(18-17)12-8-9-4-1-2-6-11(9)19-12/h1-2,4,6,10,12,18H,3,5,7-8,17H2
InChIKeyBPBVAWSCPPOCTK-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.27
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-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
CID 105334973
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methoxyethyl]hydrazine
CID 105321616
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
CID 105130052
[1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105298148
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105317497
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310289
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105299519
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine
CID 105224607
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 105090430
[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105314735

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine (CID 105328932) is [1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine is NNC(CCCC(F)(F)F)C1Cc2ccccc2S1.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine?
The InChIKey is BPBVAWSCPPOCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2S/c14-13(15,16)7-3-5-10(18-17)12-8-9-4-1-2-6-11(9)19-12/h1-2,4,6,10,12,18H,3,5,7-8,17H2.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine?
[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine has a molecular weight of 290.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine is sourced from PubChem (CID 105328932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).