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

C9H17F3N2S — CID 105329067

IUPAC[5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)C1CCSC1
InChIInChI=1S/C9H17F3N2S/c10-9(11,12)4-1-2-8(14-13)7-3-5-15-6-7/h7-8,14H,1-6,13H2
InChIKeyUBHJQDUCMFWXGA-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.30
Rot. Bonds5

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

[5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine (PubChem CID 105329067) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is [5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine.

Molecular Properties

Compound Name[5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine
PubChem CID105329067
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name[5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)C1CCSC1
InChIInChI=1S/C9H17F3N2S/c10-9(11,12)4-1-2-8(14-13)7-3-5-15-6-7/h7-8,14H,1-6,13H2
InChIKeyUBHJQDUCMFWXGA-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of [5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine?
The IUPAC name of [5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine (CID 105329067) is [5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine.
What is the SMILES notation for [5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine?
The canonical SMILES for [5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine is NNC(CCCC(F)(F)F)C1CCSC1.
What is the InChIKey of [5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine?
The InChIKey is UBHJQDUCMFWXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c10-9(11,12)4-1-2-8(14-13)7-3-5-15-6-7/h7-8,14H,1-6,13H2.
What are the key properties of [5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine?
[5,5,5-trifluoro-1-(thiolan-3-yl)pentyl]hydrazine has a molecular weight of 242.31 g/mol, XLogP of 2.30, 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-(thiolan-3-yl)pentyl]hydrazine is sourced from PubChem (CID 105329067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).