[1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C13H18BrF3N2O2 — CID 103151651

IUPAC[1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCOc1ccc(Br)cc1CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C13H18BrF3N2O2/c1-20-12-3-2-10(14)6-9(12)7-11(19-18)4-5-21-8-13(15,16)17/h2-3,6,11,19H,4-5,7-8,18H2,1H3
InChIKeyNHFLWTRTYYBKBJ-UHFFFAOYSA-N
MW371.20 g/mol
LogP2.80
Rot. Bonds8

About [1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151651) has the molecular formula C13H18BrF3N2O2 and a molecular weight of 371.20 g/mol. Its IUPAC name is [1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151651
Molecular FormulaC13H18BrF3N2O2
Molecular Weight371.20 g/mol
Exact Mass370.05
IUPAC Name[1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCOc1ccc(Br)cc1CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C13H18BrF3N2O2/c1-20-12-3-2-10(14)6-9(12)7-11(19-18)4-5-21-8-13(15,16)17/h2-3,6,11,19H,4-5,7-8,18H2,1H3
InChIKeyNHFLWTRTYYBKBJ-UHFFFAOYSA-N
XLogP2.80
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine
CID 105235318
1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine
CID 105269705
[1-(2-methoxy-5-methylphenyl)-4-propoxybutan-2-yl]hydrazine
CID 105291973
[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226128
[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine
CID 103151784
1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959284
1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146880
1-(3-bromo-4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207108
1-(5-bromo-2-methoxyphenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927579
1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine
CID 65092395
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 103151796

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103151651) is [1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is COc1ccc(Br)cc1CC(CCOCC(F)(F)F)NN.
What is the InChIKey of [1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is NHFLWTRTYYBKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF3N2O2/c1-20-12-3-2-10(14)6-9(12)7-11(19-18)4-5-21-8-13(15,16)17/h2-3,6,11,19H,4-5,7-8,18H2,1H3.
What are the key properties of [1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 371.20 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).