[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine

C12H17F3N2O2S — CID 105328847

IUPAC[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine
SMILESCS(=O)(=O)c1cccc(C(CCCC(F)(F)F)NN)c1
InChIInChI=1S/C12H17F3N2O2S/c1-20(18,19)10-5-2-4-9(8-10)11(17-16)6-3-7-12(13,14)15/h2,4-5,8,11,17H,3,6-7,16H2,1H3
InChIKeyQLLMMEIDTUHTCB-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.33
Rot. Bonds6

About [5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine

[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine (PubChem CID 105328847) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is [5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine.

Molecular Properties

Compound Name[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine
PubChem CID105328847
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine
SMILESCS(=O)(=O)c1cccc(C(CCCC(F)(F)F)NN)c1
InChIInChI=1S/C12H17F3N2O2S/c1-20(18,19)10-5-2-4-9(8-10)11(17-16)6-3-7-12(13,14)15/h2,4-5,8,11,17H,3,6-7,16H2,1H3
InChIKeyQLLMMEIDTUHTCB-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.33
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

[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105299901
[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283041
N-ethyl-4-methylsulfonyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115820906
[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315250
[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine
CID 105328962
[1-(4-chloro-3-fluorophenyl)-5,5,5-trifluoropentyl]hydrazine
CID 107997242
(1S)-2,2,2-trifluoro-1-(3-methylsulfonylphenyl)ethanamine;hydrochloride
CID 162344458
N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline
CID 105328860
1-(3-methylsulfonylphenyl)heptan-1-ol
CID 115783497
1-(3-methylsulfonylphenyl)nonan-1-ol
CID 115784026
[1-(2-chloro-4-pyridinyl)-5,5,5-trifluoropentyl]hydrazine
CID 105252699
N-ethyl-1-(3-methylsulfonylphenyl)hex-5-yn-1-amine
CID 105034083

Frequently Asked Questions

What is the IUPAC name of [5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine?
The IUPAC name of [5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine (CID 105328847) is [5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine.
What is the SMILES notation for [5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine?
The canonical SMILES for [5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine is CS(=O)(=O)c1cccc(C(CCCC(F)(F)F)NN)c1.
What is the InChIKey of [5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine?
The InChIKey is QLLMMEIDTUHTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-20(18,19)10-5-2-4-9(8-10)11(17-16)6-3-7-12(13,14)15/h2,4-5,8,11,17H,3,6-7,16H2,1H3.
What are the key properties of [5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine?
[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine has a molecular weight of 310.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine is sourced from PubChem (CID 105328847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).