(6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine

C8H17F3N2O2S — CID 105313996

IUPAC(6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine
SMILESCC(C)(C(CCC(F)(F)F)NN)S(C)(=O)=O
InChIInChI=1S/C8H17F3N2O2S/c1-7(2,16(3,14)15)6(13-12)4-5-8(9,10)11/h6,13H,4-5,12H2,1-3H3
InChIKeyQAEBGTYXGOEARQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.98
Rot. Bonds5

About (6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine

(6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine (PubChem CID 105313996) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is (6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine.

Molecular Properties

Compound Name(6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine
PubChem CID105313996
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC Name(6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine
SMILESCC(C)(C(CCC(F)(F)F)NN)S(C)(=O)=O
InChIInChI=1S/C8H17F3N2O2S/c1-7(2,16(3,14)15)6(13-12)4-5-8(9,10)11/h6,13H,4-5,12H2,1-3H3
InChIKeyQAEBGTYXGOEARQ-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.98
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 (6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine?
The IUPAC name of (6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine (CID 105313996) is (6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine.
What is the SMILES notation for (6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine?
The canonical SMILES for (6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine is CC(C)(C(CCC(F)(F)F)NN)S(C)(=O)=O.
What is the InChIKey of (6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine?
The InChIKey is QAEBGTYXGOEARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-7(2,16(3,14)15)6(13-12)4-5-8(9,10)11/h6,13H,4-5,12H2,1-3H3.
What are the key properties of (6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine?
(6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine has a molecular weight of 262.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6,6-trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine is sourced from PubChem (CID 105313996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).