(6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine

C8H17F3N2O2S — CID 105205912

IUPAC(6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine
SMILESCCS(=O)(=O)CCCC(CC(F)(F)F)NN
InChIInChI=1S/C8H17F3N2O2S/c1-2-16(14,15)5-3-4-7(13-12)6-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyBJJUTIFARATLLL-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.99
Rot. Bonds7

About (6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine

(6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine (PubChem CID 105205912) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is (6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine.

Molecular Properties

Compound Name(6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine
PubChem CID105205912
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC Name(6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine
SMILESCCS(=O)(=O)CCCC(CC(F)(F)F)NN
InChIInChI=1S/C8H17F3N2O2S/c1-2-16(14,15)5-3-4-7(13-12)6-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyBJJUTIFARATLLL-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
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 (6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine?
The IUPAC name of (6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine (CID 105205912) is (6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine.
What is the SMILES notation for (6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine?
The canonical SMILES for (6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine is CCS(=O)(=O)CCCC(CC(F)(F)F)NN.
What is the InChIKey of (6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine?
The InChIKey is BJJUTIFARATLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-2-16(14,15)5-3-4-7(13-12)6-8(9,10)11/h7,13H,2-6,12H2,1H3.
What are the key properties of (6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine?
(6-ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine has a molecular weight of 262.30 g/mol, XLogP of 0.99, 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-trifluorohexan-3-yl)hydrazine is sourced from PubChem (CID 105205912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).