[4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine

C12H23F3N2O2S — CID 105290974

IUPAC[4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O2S/c1-20(18,19)8-2-3-11(17-16)9-4-6-10(7-5-9)12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyPBOJXVAIZYOFKH-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.01
Rot. Bonds6

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

[4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine (PubChem CID 105290974) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is [4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine.

Molecular Properties

Compound Name[4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
PubChem CID105290974
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC Name[4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O2S/c1-20(18,19)8-2-3-11(17-16)9-4-6-10(7-5-9)12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyPBOJXVAIZYOFKH-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.01
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-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105291017

Frequently Asked Questions

What is the IUPAC name of [4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The IUPAC name of [4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine (CID 105290974) is [4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine.
What is the SMILES notation for [4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The canonical SMILES for [4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine is CS(=O)(=O)CCCC(NN)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The InChIKey is PBOJXVAIZYOFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-20(18,19)8-2-3-11(17-16)9-4-6-10(7-5-9)12(13,14)15/h9-11,17H,2-8,16H2,1H3.
What are the key properties of [4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
[4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine has a molecular weight of 316.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine is sourced from PubChem (CID 105290974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).