[2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine

C12H17F3N2O2S — CID 102760037

IUPAC[2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESCc1cc(C(F)(F)F)ccc1C(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C12H17F3N2O2S/c1-7-6-9(12(13,14)15)4-5-10(7)11(17-16)8(2)20(3,18)19/h4-6,8,11,17H,16H2,1-3H3
InChIKeyYWCVFUBAZOSBLW-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.95
Rot. Bonds4

About [2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine

[2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine (PubChem CID 102760037) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is [2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
PubChem CID102760037
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name[2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESCc1cc(C(F)(F)F)ccc1C(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C12H17F3N2O2S/c1-7-6-9(12(13,14)15)4-5-10(7)11(17-16)8(2)20(3,18)19/h4-6,8,11,17H,16H2,1-3H3
InChIKeyYWCVFUBAZOSBLW-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.95
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

(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
[2-methylsulfonyl-1-(2-methylthiophen-3-yl)propyl]hydrazine
CID 102843358
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
[1-[2-methyl-4-(trifluoromethyl)phenyl]-2-phenylethyl]hydrazine
CID 102759408
[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]hydrazine
CID 102759413
[(2-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759477
[(2,5-dimethylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759916
[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine
CID 102759414
1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene
CID 130480328
[(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759536
2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755235
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine?
The IUPAC name of [2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine (CID 102760037) is [2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine.
What is the SMILES notation for [2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine?
The canonical SMILES for [2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine is Cc1cc(C(F)(F)F)ccc1C(NN)C(C)S(C)(=O)=O.
What is the InChIKey of [2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine?
The InChIKey is YWCVFUBAZOSBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-7-6-9(12(13,14)15)4-5-10(7)11(17-16)8(2)20(3,18)19/h4-6,8,11,17H,16H2,1-3H3.
What are the key properties of [2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine?
[2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine has a molecular weight of 310.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine is sourced from PubChem (CID 102760037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).