[1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine

C10H19F3N2O2S — CID 105328934

IUPAC[1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
SMILESNNC(CCCC(F)(F)F)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)4-1-2-9(15-14)6-8-3-5-18(16,17)7-8/h8-9,15H,1-7,14H2
InChIKeyKOUGUIYRWHBLHJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.38
Rot. Bonds6

About [1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine

[1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine (PubChem CID 105328934) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
PubChem CID105328934
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
SMILESNNC(CCCC(F)(F)F)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)4-1-2-9(15-14)6-8-3-5-18(16,17)7-8/h8-9,15H,1-7,14H2
InChIKeyKOUGUIYRWHBLHJ-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.38
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)-6,6,6-trifluorohexan-2-yl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine (CID 105328934) is [1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine is NNC(CCCC(F)(F)F)CC1CCS(=O)(=O)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine?
The InChIKey is KOUGUIYRWHBLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)4-1-2-9(15-14)6-8-3-5-18(16,17)7-8/h8-9,15H,1-7,14H2.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine has a molecular weight of 288.34 g/mol, XLogP of 1.38, 6 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)-6,6,6-trifluorohexan-2-yl]hydrazine is sourced from PubChem (CID 105328934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).