[3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine

C11H21F3N2O2S — CID 114985186

IUPAC[3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine
SMILESCS(=O)(=O)CCC(NN)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2S/c1-19(17,18)7-6-10(16-15)8-2-4-9(5-3-8)11(12,13)14/h8-10,16H,2-7,15H2,1H3
InChIKeyBVFLEMTWYVCYOU-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.62
Rot. Bonds5

About [3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine

[3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine (PubChem CID 114985186) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is [3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine.

Molecular Properties

Compound Name[3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine
PubChem CID114985186
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC Name[3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine
SMILESCS(=O)(=O)CCC(NN)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2S/c1-19(17,18)7-6-10(16-15)8-2-4-9(5-3-8)11(12,13)14/h8-10,16H,2-7,15H2,1H3
InChIKeyBVFLEMTWYVCYOU-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.62
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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Related Compounds

1-(4,4-Difluorocyclohexyl)-4-methylsulfonylbutan-1-amine
CID 105113392
4-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113393
4-Methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113525
4-Ethylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105152704
[3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)propyl]hydrazine
CID 105206056
[2,2,2-Trifluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105215746
[1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105258853
[2,2-Difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105265156
[2-Chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105265525
[4-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105290943
[1-(4,4-Difluorocyclohexyl)-4-methylsulfonylbutyl]hydrazine
CID 105290948
[4-Methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105290974

Frequently Asked Questions

What is the IUPAC name of [3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine?
The IUPAC name of [3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine (CID 114985186) is [3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine.
What is the SMILES notation for [3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine?
The canonical SMILES for [3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine is CS(=O)(=O)CCC(NN)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of [3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine?
The InChIKey is BVFLEMTWYVCYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-19(17,18)7-6-10(16-15)8-2-4-9(5-3-8)11(12,13)14/h8-10,16H,2-7,15H2,1H3.
What are the key properties of [3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine?
[3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine has a molecular weight of 302.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine is sourced from PubChem (CID 114985186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).