[1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

C12H16BrF3N2O2 — CID 103217513

IUPAC[1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCOc1ccc(Br)c(CC(COCC(F)(F)F)NN)c1
InChIInChI=1S/C12H16BrF3N2O2/c1-19-10-2-3-11(13)8(5-10)4-9(18-17)6-20-7-12(14,15)16/h2-3,5,9,18H,4,6-7,17H2,1H3
InChIKeyDBGKVPRIZIQUKL-UHFFFAOYSA-N
MW357.17 g/mol
LogP2.41
Rot. Bonds7

About [1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

[1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (PubChem CID 103217513) has the molecular formula C12H16BrF3N2O2 and a molecular weight of 357.17 g/mol. Its IUPAC name is [1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
PubChem CID103217513
Molecular FormulaC12H16BrF3N2O2
Molecular Weight357.17 g/mol
Exact Mass356.03
IUPAC Name[1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCOc1ccc(Br)c(CC(COCC(F)(F)F)NN)c1
InChIInChI=1S/C12H16BrF3N2O2/c1-19-10-2-3-11(13)8(5-10)4-9(18-17)6-20-7-12(14,15)16/h2-3,5,9,18H,4,6-7,17H2,1H3
InChIKeyDBGKVPRIZIQUKL-UHFFFAOYSA-N
XLogP2.41
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 52.41
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-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105309540
[1-(2-bromo-5-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226806
[1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217827
[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275091
[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227494
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
1-(2-bromo-4-methoxyphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207435
[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
[1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217379
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611
[1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151651
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (CID 103217513) is [1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is COc1ccc(Br)c(CC(COCC(F)(F)F)NN)c1.
What is the InChIKey of [1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The InChIKey is DBGKVPRIZIQUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N2O2/c1-19-10-2-3-11(13)8(5-10)4-9(18-17)6-20-7-12(14,15)16/h2-3,5,9,18H,4,6-7,17H2,1H3.
What are the key properties of [1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
[1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine has a molecular weight of 357.17 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 103217513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).