[4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine

C11H15F3N2O2S — CID 105313810

IUPAC[4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine
SMILESCS(=O)(=O)c1cccc(C(CCC(F)(F)F)NN)c1
InChIInChI=1S/C11H15F3N2O2S/c1-19(17,18)9-4-2-3-8(7-9)10(16-15)5-6-11(12,13)14/h2-4,7,10,16H,5-6,15H2,1H3
InChIKeyMKTOOGMVIRUZKC-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.94
Rot. Bonds5

About [4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine

[4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine (PubChem CID 105313810) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine
PubChem CID105313810
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name[4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine
SMILESCS(=O)(=O)c1cccc(C(CCC(F)(F)F)NN)c1
InChIInChI=1S/C11H15F3N2O2S/c1-19(17,18)9-4-2-3-8(7-9)10(16-15)5-6-11(12,13)14/h2-4,7,10,16H,5-6,15H2,1H3
InChIKeyMKTOOGMVIRUZKC-UHFFFAOYSA-N
XLogP1.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.94
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-(Methylsulfonyl)phenyl)ethanamine
CID 2736900
(3-(Methylsulfonyl)phenyl)methanamine
CID 2760937
(4-Fluorophenyl)(3-methanesulfonylphenyl)methanamine
CID 24689038
(3,4-Difluorophenyl)(3-methanesulfonylphenyl)methanamine
CID 43197558
3-(Trifluoromethylsulfonyl)benzylamine
CID 69971943
[3-Methanesulfonyl-5-(trifluoromethyl)phenyl]methanamine
CID 112594395
(3-Trifluoromethanesulfonylphenyl)methanamine hydrochloride
CID 121552888
1-(3-Trifluoromethanesulfonylphenyl)ethan-1-amine hydrochloride
CID 132327584
(3,4-Difluorophenyl)(3-methanesulfonylphenyl)methanamine hydrochloride
CID 54595814
[4-Methylsulfonyl-2-(trifluoromethyl)phenyl]methanamine
CID 46912459
1-(3-Fluoro-4-methanesulfonylphenyl)ethan-1-amine
CID 54594954
1-[[3-(Trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine
CID 57016492

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine (CID 105313810) is [4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine is CS(=O)(=O)c1cccc(C(CCC(F)(F)F)NN)c1.
What is the InChIKey of [4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine?
The InChIKey is MKTOOGMVIRUZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-19(17,18)9-4-2-3-8(7-9)10(16-15)5-6-11(12,13)14/h2-4,7,10,16H,5-6,15H2,1H3.
What are the key properties of [4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine?
[4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine has a molecular weight of 296.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine is sourced from PubChem (CID 105313810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).