[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine

C9H11F3N2S — CID 105213752

IUPAC[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
SMILESCSCC(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H11F3N2S/c1-15-4-7(14-13)5-2-3-6(10)9(12)8(5)11/h2-3,7,14H,4,13H2,1H3
InChIKeyRSJTUTUHBZOYRA-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.97
Rot. Bonds4

About [2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine

[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine (PubChem CID 105213752) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is [2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
PubChem CID105213752
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
SMILESCSCC(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H11F3N2S/c1-15-4-7(14-13)5-2-3-6(10)9(12)8(5)11/h2-3,7,14H,4,13H2,1H3
InChIKeyRSJTUTUHBZOYRA-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105236101
3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105259088
N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105243943
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
CID 105224914
[2-(4-fluoro-2-methylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105340770
[2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105215076
[2-(5-fluoro-2-methylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105378026
[1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226770
[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305698
1-(2,3-difluoro-4-methylphenyl)propylhydrazine
CID 107516321
[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine
CID 105305658
[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105308798

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine (CID 105213752) is [2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine is CSCC(NN)c1ccc(F)c(F)c1F.
What is the InChIKey of [2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
The InChIKey is RSJTUTUHBZOYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c1-15-4-7(14-13)5-2-3-6(10)9(12)8(5)11/h2-3,7,14H,4,13H2,1H3.
What are the key properties of [2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine has a molecular weight of 236.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105213752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).