[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine

C13H18BrFN2 — CID 103170422

IUPAC[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
SMILESNNC(Cc1ccc(F)c(Br)c1)CC1CCC1
InChIInChI=1S/C13H18BrFN2/c14-12-8-10(4-5-13(12)15)7-11(17-16)6-9-2-1-3-9/h4-5,8-9,11,17H,1-3,6-7,16H2
InChIKeyPWKQEPGYXXKGAX-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.15
Rot. Bonds5

About [1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine

[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine (PubChem CID 103170422) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is [1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
PubChem CID103170422
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
SMILESNNC(Cc1ccc(F)c(Br)c1)CC1CCC1
InChIInChI=1S/C13H18BrFN2/c14-12-8-10(4-5-13(12)15)7-11(17-16)6-9-2-1-3-9/h4-5,8-9,11,17H,1-3,6-7,16H2
InChIKeyPWKQEPGYXXKGAX-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
[1-cyclobutyl-3-(3,4-difluorophenyl)propan-2-yl]hydrazine
CID 105310203
[1-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453
[1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197541
1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine
CID 105269572
[1-(3,4-difluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105298960
[2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229545
[1-cyclobutyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215170
[1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]hydrazine
CID 103170568
[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170468
[2-(3-bromo-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107193478
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine (CID 103170422) is [1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine is NNC(Cc1ccc(F)c(Br)c1)CC1CCC1.
What is the InChIKey of [1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
The InChIKey is PWKQEPGYXXKGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c14-12-8-10(4-5-13(12)15)7-11(17-16)6-9-2-1-3-9/h4-5,8-9,11,17H,1-3,6-7,16H2.
What are the key properties of [1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine has a molecular weight of 301.20 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine is sourced from PubChem (CID 103170422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).