[6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine

C9H16F6N2O2S — CID 103312818

IUPAC[6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16F6N2O2S/c1-2-20(18,19)5-3-4-6(17-16)7(8(10,11)12)9(13,14)15/h6-7,17H,2-5,16H2,1H3
InChIKeyVCJFAIORVHUTKS-UHFFFAOYSA-N
MW330.29 g/mol
LogP1.77
Rot. Bonds7

About [6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine

[6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine (PubChem CID 103312818) has the molecular formula C9H16F6N2O2S and a molecular weight of 330.29 g/mol. Its IUPAC name is [6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine.

Molecular Properties

Compound Name[6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine
PubChem CID103312818
Molecular FormulaC9H16F6N2O2S
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name[6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16F6N2O2S/c1-2-20(18,19)5-3-4-6(17-16)7(8(10,11)12)9(13,14)15/h6-7,17H,2-5,16H2,1H3
InChIKeyVCJFAIORVHUTKS-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 51.77
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 [6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine?
The IUPAC name of [6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine (CID 103312818) is [6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine.
What is the SMILES notation for [6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine?
The canonical SMILES for [6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine is CCS(=O)(=O)CCCC(NN)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine?
The InChIKey is VCJFAIORVHUTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F6N2O2S/c1-2-20(18,19)5-3-4-6(17-16)7(8(10,11)12)9(13,14)15/h6-7,17H,2-5,16H2,1H3.
What are the key properties of [6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine?
[6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine has a molecular weight of 330.29 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine is sourced from PubChem (CID 103312818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).