[1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine

C9H17F3N2O2S — CID 105313878

IUPAC[1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
SMILESNNC(CCC(F)(F)F)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)3-1-8(14-13)5-7-2-4-17(15,16)6-7/h7-8,14H,1-6,13H2
InChIKeyHDAHRTHGOQEATM-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.99
Rot. Bonds5

About [1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine

[1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine (PubChem CID 105313878) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
PubChem CID105313878
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
SMILESNNC(CCC(F)(F)F)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)3-1-8(14-13)5-7-2-4-17(15,16)6-7/h7-8,14H,1-6,13H2
InChIKeyHDAHRTHGOQEATM-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.99
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 [1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine (CID 105313878) is [1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine is NNC(CCC(F)(F)F)CC1CCS(=O)(=O)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The InChIKey is HDAHRTHGOQEATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)3-1-8(14-13)5-7-2-4-17(15,16)6-7/h7-8,14H,1-6,13H2.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine has a molecular weight of 274.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine is sourced from PubChem (CID 105313878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).