[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine

C13H18BrFN2 — CID 103170468

IUPAC[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
SMILESNNC(Cc1cc(F)ccc1Br)CC1CCC1
InChIInChI=1S/C13H18BrFN2/c14-13-5-4-11(15)7-10(13)8-12(17-16)6-9-2-1-3-9/h4-5,7,9,12,17H,1-3,6,8,16H2
InChIKeyKUNUZKSNZJXCHY-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.15
Rot. Bonds5

About [1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine

[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine (PubChem CID 103170468) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is [1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
PubChem CID103170468
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
SMILESNNC(Cc1cc(F)ccc1Br)CC1CCC1
InChIInChI=1S/C13H18BrFN2/c14-13-5-4-11(15)7-10(13)8-12(17-16)6-9-2-1-3-9/h4-5,7,9,12,17H,1-3,6,8,16H2
InChIKeyKUNUZKSNZJXCHY-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-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
[1-cyclobutyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223148
[1-(2-bromophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 105214950
[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 105227890
[2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
CID 105232962
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
[2-(2-bromo-5-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105230037
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310051
[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105297115
[1-cyclobutyl-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105208383
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine (CID 103170468) is [1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine is NNC(Cc1cc(F)ccc1Br)CC1CCC1.
What is the InChIKey of [1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
The InChIKey is KUNUZKSNZJXCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c14-13-5-4-11(15)7-10(13)8-12(17-16)6-9-2-1-3-9/h4-5,7,9,12,17H,1-3,6,8,16H2.
What are the key properties of [1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine?
[1-(2-bromo-5-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-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine is sourced from PubChem (CID 103170468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).