[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine

C12H17F3N2OS — CID 105225207

IUPAC[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine
SMILESCCSCC(Cc1ccc(OC(F)(F)F)cc1)NN
InChIInChI=1S/C12H17F3N2OS/c1-2-19-8-10(17-16)7-9-3-5-11(6-4-9)18-12(13,14)15/h3-6,10,17H,2,7-8,16H2,1H3
InChIKeyXSCXPYPZSHAQJZ-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.71
Rot. Bonds7

About [1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine

[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine (PubChem CID 105225207) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is [1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine
PubChem CID105225207
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine
SMILESCCSCC(Cc1ccc(OC(F)(F)F)cc1)NN
InChIInChI=1S/C12H17F3N2OS/c1-2-19-8-10(17-16)7-9-3-5-11(6-4-9)18-12(13,14)15/h3-6,10,17H,2,7-8,16H2,1H3
InChIKeyXSCXPYPZSHAQJZ-UHFFFAOYSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.71
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-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine
CID 105269576
[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 103025250
[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
N-ethyl-1-propan-2-ylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65131725
[1-(4-ethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225581
[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105270915
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
[1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225261
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
1-tert-butylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65132270
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
[1-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915

Frequently Asked Questions

What is the IUPAC name of [1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine?
The IUPAC name of [1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine (CID 105225207) is [1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine.
What is the SMILES notation for [1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine?
The canonical SMILES for [1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine is CCSCC(Cc1ccc(OC(F)(F)F)cc1)NN.
What is the InChIKey of [1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine?
The InChIKey is XSCXPYPZSHAQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-2-19-8-10(17-16)7-9-3-5-11(6-4-9)18-12(13,14)15/h3-6,10,17H,2,7-8,16H2,1H3.
What are the key properties of [1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine?
[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine has a molecular weight of 294.34 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine is sourced from PubChem (CID 105225207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).