[1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine

C8H15F3N2O2S — CID 105258756

IUPAC[1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)3-1-7(13-12)6-2-4-16(14,15)5-6/h6-7,13H,1-5,12H2
InChIKeyMUOIPJGJPKRDAJ-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.60
Rot. Bonds4

About [1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine

[1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105258756) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105258756
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)3-1-7(13-12)6-2-4-16(14,15)5-6/h6-7,13H,1-5,12H2
InChIKeyMUOIPJGJPKRDAJ-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.60
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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Related Compounds

[1,1,1-Trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine
CID 103312743
[6-Ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine
CID 103312818
(7-Ethylsulfonyl-1,1,1-trifluoroheptan-4-yl)hydrazine
CID 105248914
[1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105258853
[1-(4,4-Difluorocyclohexyl)-4-methylsulfonylbutyl]hydrazine
CID 105290948
[1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105313878
[4,4,4-Trifluoro-1-(thiolan-3-yl)butyl]hydrazine
CID 105313992
(6,6,6-Trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine
CID 105313996
[1-(1,1-Dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105328934
[1-(4,4-Difluorocyclohexyl)-4-ethylsulfonylbutyl]hydrazine
CID 113702203
[2-(3,3-Difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 114225985
[1-(3,3-Difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine
CID 114226038

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine (CID 105258756) is [1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine is NNC(CCC(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is MUOIPJGJPKRDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)3-1-7(13-12)6-2-4-16(14,15)5-6/h6-7,13H,1-5,12H2.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 260.28 g/mol, XLogP of 0.60, 4 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)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105258756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).