[4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine

C13H25F3N2O2S — CID 105310967

IUPAC[4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H25F3N2O2S/c1-2-21(19,20)9-5-8-12(18-17)10-6-3-4-7-11(10)13(14,15)16/h10-12,18H,2-9,17H2,1H3
InChIKeySGGNLVKUDHUFCI-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.40
Rot. Bonds7

About [4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine

[4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine (PubChem CID 105310967) has the molecular formula C13H25F3N2O2S and a molecular weight of 330.42 g/mol. Its IUPAC name is [4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine.

Molecular Properties

Compound Name[4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
PubChem CID105310967
Molecular FormulaC13H25F3N2O2S
Molecular Weight330.42 g/mol
Exact Mass330.16
IUPAC Name[4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H25F3N2O2S/c1-2-21(19,20)9-5-8-12(18-17)10-6-3-4-7-11(10)13(14,15)16/h10-12,18H,2-9,17H2,1H3
InChIKeySGGNLVKUDHUFCI-UHFFFAOYSA-N
XLogP2.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.40
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 [4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The IUPAC name of [4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine (CID 105310967) is [4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine.
What is the SMILES notation for [4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The canonical SMILES for [4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine is CCS(=O)(=O)CCCC(NN)C1CCCCC1C(F)(F)F.
What is the InChIKey of [4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The InChIKey is SGGNLVKUDHUFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2S/c1-2-21(19,20)9-5-8-12(18-17)10-6-3-4-7-11(10)13(14,15)16/h10-12,18H,2-9,17H2,1H3.
What are the key properties of [4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
[4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine has a molecular weight of 330.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine is sourced from PubChem (CID 105310967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).