[4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine

C9H17F3N2S — CID 105313966

IUPAC[4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine
SMILESCC1(C(CCC(F)(F)F)NN)CCCS1
InChIInChI=1S/C9H17F3N2S/c1-8(4-2-6-15-8)7(14-13)3-5-9(10,11)12/h7,14H,2-6,13H2,1H3
InChIKeyHAZRLPIULRNBMH-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.45
Rot. Bonds4

About [4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine

[4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine (PubChem CID 105313966) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine
PubChem CID105313966
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name[4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine
SMILESCC1(C(CCC(F)(F)F)NN)CCCS1
InChIInChI=1S/C9H17F3N2S/c1-8(4-2-6-15-8)7(14-13)3-5-9(10,11)12/h7,14H,2-6,13H2,1H3
InChIKeyHAZRLPIULRNBMH-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.45
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-(2-methylthiolan-2-yl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine (CID 105313966) is [4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine is CC1(C(CCC(F)(F)F)NN)CCCS1.
What is the InChIKey of [4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine?
The InChIKey is HAZRLPIULRNBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-8(4-2-6-15-8)7(14-13)3-5-9(10,11)12/h7,14H,2-6,13H2,1H3.
What are the key properties of [4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine?
[4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butyl]hydrazine has a molecular weight of 242.31 g/mol, XLogP of 2.45, 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-(2-methylthiolan-2-yl)butyl]hydrazine is sourced from PubChem (CID 105313966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).