[2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine

C13H19F3N2OS — CID 112745753

IUPAC[2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine
SMILESCCOC1CC(CC(NN)c2cscc2C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2OS/c1-2-19-9-3-8(4-9)5-12(18-17)10-6-20-7-11(10)13(14,15)16/h6-9,12,18H,2-5,17H2,1H3
InChIKeyONRQWOHTUAIQEV-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.48
Rot. Bonds6

About [2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine

[2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine (PubChem CID 112745753) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is [2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine
PubChem CID112745753
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name[2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine
SMILESCCOC1CC(CC(NN)c2cscc2C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2OS/c1-2-19-9-3-8(4-9)5-12(18-17)10-6-20-7-11(10)13(14,15)16/h6-9,12,18H,2-5,17H2,1H3
InChIKeyONRQWOHTUAIQEV-UHFFFAOYSA-N
XLogP3.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.48
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

[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 103170881
[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363
[1-(2,3-dichlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170505
[2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 103170402
[1-(cycloocten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 106650040
[1-(3-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170410
1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162918
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162875
2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine?
The IUPAC name of [2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine (CID 112745753) is [2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine.
What is the SMILES notation for [2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine?
The canonical SMILES for [2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine is CCOC1CC(CC(NN)c2cscc2C(F)(F)F)C1.
What is the InChIKey of [2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine?
The InChIKey is ONRQWOHTUAIQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-2-19-9-3-8(4-9)5-12(18-17)10-6-20-7-11(10)13(14,15)16/h6-9,12,18H,2-5,17H2,1H3.
What are the key properties of [2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine?
[2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine has a molecular weight of 308.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine is sourced from PubChem (CID 112745753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).