[5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine

C9H12F3IN2S — CID 105329032

IUPAC[5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)c1csc(I)c1
InChIInChI=1S/C9H12F3IN2S/c10-9(11,12)3-1-2-7(15-14)6-4-8(13)16-5-6/h4-5,7,15H,1-3,14H2
InChIKeyYTOPWIIJTFNMJG-UHFFFAOYSA-N
MW364.17 g/mol
LogP3.59
Rot. Bonds5

About [5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine

[5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine (PubChem CID 105329032) has the molecular formula C9H12F3IN2S and a molecular weight of 364.17 g/mol. Its IUPAC name is [5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine.

Molecular Properties

Compound Name[5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine
PubChem CID105329032
Molecular FormulaC9H12F3IN2S
Molecular Weight364.17 g/mol
Exact Mass363.97
IUPAC Name[5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)c1csc(I)c1
InChIInChI=1S/C9H12F3IN2S/c10-9(11,12)3-1-2-7(15-14)6-4-8(13)16-5-6/h4-5,7,15H,1-3,14H2
InChIKeyYTOPWIIJTFNMJG-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 [5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine?
The IUPAC name of [5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine (CID 105329032) is [5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine.
What is the SMILES notation for [5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine?
The canonical SMILES for [5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine is NNC(CCCC(F)(F)F)c1csc(I)c1.
What is the InChIKey of [5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine?
The InChIKey is YTOPWIIJTFNMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3IN2S/c10-9(11,12)3-1-2-7(15-14)6-4-8(13)16-5-6/h4-5,7,15H,1-3,14H2.
What are the key properties of [5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine?
[5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine has a molecular weight of 364.17 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine is sourced from PubChem (CID 105329032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).