[3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine

C10H19F3N2O2S — CID 105206056

IUPAC[3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(CC(F)(F)F)NN)C1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)8-4-2-3-7(5-8)9(15-14)6-10(11,12)13/h7-9,15H,2-6,14H2,1H3
InChIKeyZWTOJQGURXUMAD-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.37
Rot. Bonds4

About [3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine

[3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine (PubChem CID 105206056) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is [3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine.

Molecular Properties

Compound Name[3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
PubChem CID105206056
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name[3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(CC(F)(F)F)NN)C1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)8-4-2-3-7(5-8)9(15-14)6-10(11,12)13/h7-9,15H,2-6,14H2,1H3
InChIKeyZWTOJQGURXUMAD-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
The IUPAC name of [3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine (CID 105206056) is [3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine.
What is the SMILES notation for [3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
The canonical SMILES for [3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine is CS(=O)(=O)C1CCCC(C(CC(F)(F)F)NN)C1.
What is the InChIKey of [3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
The InChIKey is ZWTOJQGURXUMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-18(16,17)8-4-2-3-7(5-8)9(15-14)6-10(11,12)13/h7-9,15H,2-6,14H2,1H3.
What are the key properties of [3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine?
[3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine has a molecular weight of 288.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine is sourced from PubChem (CID 105206056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).