[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine

C13H17BrF2N2S — CID 106271374

IUPAC[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
SMILESCC1(C(Cc2c(F)ccc(Br)c2F)NN)CCCS1
InChIInChI=1S/C13H17BrF2N2S/c1-13(5-2-6-19-13)11(18-17)7-8-10(15)4-3-9(14)12(8)16/h3-4,11,18H,2,5-7,17H2,1H3
InChIKeyGHPAKEJYFOFYHE-UHFFFAOYSA-N
MW351.26 g/mol
LogP3.39
Rot. Bonds4

About [2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine

[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine (PubChem CID 106271374) has the molecular formula C13H17BrF2N2S and a molecular weight of 351.26 g/mol. Its IUPAC name is [2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
PubChem CID106271374
Molecular FormulaC13H17BrF2N2S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
SMILESCC1(C(Cc2c(F)ccc(Br)c2F)NN)CCCS1
InChIInChI=1S/C13H17BrF2N2S/c1-13(5-2-6-19-13)11(18-17)7-8-10(15)4-3-9(14)12(8)16/h3-4,11,18H,2,5-7,17H2,1H3
InChIKeyGHPAKEJYFOFYHE-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 106271227
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 106274248
1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 106267919
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 106268475
[1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105293256
1-(3-bromo-2,6-difluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 106263585
[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105323190
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105105246
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 103052717
2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105087640

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine (CID 106271374) is [2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine is CC1(C(Cc2c(F)ccc(Br)c2F)NN)CCCS1.
What is the InChIKey of [2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine?
The InChIKey is GHPAKEJYFOFYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2S/c1-13(5-2-6-19-13)11(18-17)7-8-10(15)4-3-9(14)12(8)16/h3-4,11,18H,2,5-7,17H2,1H3.
What are the key properties of [2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine?
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine has a molecular weight of 351.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 106271374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).