[4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine

C8H15F3N2S — CID 105313992

IUPAC[4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1CCSC1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)3-1-7(13-12)6-2-4-14-5-6/h6-7,13H,1-5,12H2
InChIKeyUMLUEGYBVVLWGN-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.91
Rot. Bonds4

About [4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine

[4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine (PubChem CID 105313992) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine
PubChem CID105313992
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name[4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1CCSC1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)3-1-7(13-12)6-2-4-14-5-6/h6-7,13H,1-5,12H2
InChIKeyUMLUEGYBVVLWGN-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.91
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 [4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine (CID 105313992) is [4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine is NNC(CCC(F)(F)F)C1CCSC1.
What is the InChIKey of [4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine?
The InChIKey is UMLUEGYBVVLWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c9-8(10,11)3-1-7(13-12)6-2-4-14-5-6/h6-7,13H,1-5,12H2.
What are the key properties of [4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine?
[4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine has a molecular weight of 228.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(thiolan-3-yl)butyl]hydrazine is sourced from PubChem (CID 105313992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).