[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine

C13H20BrFN2O — CID 105290502

IUPAC[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCOCC(C)CC(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C13H20BrFN2O/c1-9(8-18-2)5-11(17-16)6-10-3-4-13(15)12(14)7-10/h3-4,7,9,11,17H,5-6,8,16H2,1-2H3
InChIKeyNRTJHXPFZQQQFB-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.64
Rot. Bonds7

About [1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine

[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine (PubChem CID 105290502) has the molecular formula C13H20BrFN2O and a molecular weight of 319.22 g/mol. Its IUPAC name is [1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
PubChem CID105290502
Molecular FormulaC13H20BrFN2O
Molecular Weight319.22 g/mol
Exact Mass318.07
IUPAC Name[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCOCC(C)CC(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C13H20BrFN2O/c1-9(8-18-2)5-11(17-16)6-10-3-4-13(15)12(14)7-10/h3-4,7,9,11,17H,5-6,8,16H2,1-2H3
InChIKeyNRTJHXPFZQQQFB-UHFFFAOYSA-N
XLogP2.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105224905
[1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197541
[1-(3-bromo-4-fluorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105290427
1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine
CID 105269572
1-(3-bromo-4-fluorophenyl)-N,4,6,6-tetramethylheptan-2-amine
CID 115818913
1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105111283
[1-(furan-3-yl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105331884
[1-(4-bromothiophen-2-yl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105299395
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113391425
[1-(3,4-difluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206458
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine (CID 105290502) is [1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine is COCC(C)CC(Cc1ccc(F)c(Br)c1)NN.
What is the InChIKey of [1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine?
The InChIKey is NRTJHXPFZQQQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O/c1-9(8-18-2)5-11(17-16)6-10-3-4-13(15)12(14)7-10/h3-4,7,9,11,17H,5-6,8,16H2,1-2H3.
What are the key properties of [1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine?
[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine has a molecular weight of 319.22 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 105290502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).