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

C16H24BrFN2 — CID 105324755

IUPAC[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
SMILESNNC(Cc1cc(F)cc(Br)c1)CC1CCCCCC1
InChIInChI=1S/C16H24BrFN2/c17-14-7-13(8-15(18)11-14)10-16(20-19)9-12-5-3-1-2-4-6-12/h7-8,11-12,16,20H,1-6,9-10,19H2
InChIKeyZEPYAKIOOYNVSR-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.32
Rot. Bonds5

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

[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine (PubChem CID 105324755) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is [1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
PubChem CID105324755
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
SMILESNNC(Cc1cc(F)cc(Br)c1)CC1CCCCCC1
InChIInChI=1S/C16H24BrFN2/c17-14-7-13(8-15(18)11-14)10-16(20-19)9-12-5-3-1-2-4-6-12/h7-8,11-12,16,20H,1-6,9-10,19H2
InChIKeyZEPYAKIOOYNVSR-UHFFFAOYSA-N
XLogP4.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.32
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-cyclopropyl-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206578
[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198583
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105211313
1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene
CID 112570523
[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105324883
[1-(3-bromo-5-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105324738
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
[2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231693
[1-(3-bromo-5-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-yl]hydrazine
CID 103560538
[1-cyclobutyl-3-(3,4-difluorophenyl)propan-2-yl]hydrazine
CID 105310203

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine (CID 105324755) is [1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine is NNC(Cc1cc(F)cc(Br)c1)CC1CCCCCC1.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine?
The InChIKey is ZEPYAKIOOYNVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c17-14-7-13(8-15(18)11-14)10-16(20-19)9-12-5-3-1-2-4-6-12/h7-8,11-12,16,20H,1-6,9-10,19H2.
What are the key properties of [1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine?
[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine has a molecular weight of 343.28 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine is sourced from PubChem (CID 105324755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).