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

C8H14F6N2O2S — CID 103312743

IUPAC[1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14F6N2O2S/c1-19(17,18)4-2-3-5(16-15)6(7(9,10)11)8(12,13)14/h5-6,16H,2-4,15H2,1H3
InChIKeySHJSXNXBUQJSNS-UHFFFAOYSA-N
MW316.27 g/mol
LogP1.38
Rot. Bonds6

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

[1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine (PubChem CID 103312743) has the molecular formula C8H14F6N2O2S and a molecular weight of 316.27 g/mol. Its IUPAC name is [1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine
PubChem CID103312743
Molecular FormulaC8H14F6N2O2S
Molecular Weight316.27 g/mol
Exact Mass316.07
IUPAC Name[1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14F6N2O2S/c1-19(17,18)4-2-3-5(16-15)6(7(9,10)11)8(12,13)14/h5-6,16H,2-4,15H2,1H3
InChIKeySHJSXNXBUQJSNS-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
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'}

Analyze [1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine (CID 103312743) is [1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine is CS(=O)(=O)CCCC(NN)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine?
The InChIKey is SHJSXNXBUQJSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F6N2O2S/c1-19(17,18)4-2-3-5(16-15)6(7(9,10)11)8(12,13)14/h5-6,16H,2-4,15H2,1H3.
What are the key properties of [1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine?
[1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine has a molecular weight of 316.27 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-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine is sourced from PubChem (CID 103312743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).