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

C12H16BrFN2 — CID 105253974

IUPAC[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
SMILESNNC(Cc1ccc(F)c(Br)c1)CC1CC1
InChIInChI=1S/C12H16BrFN2/c13-11-7-9(3-4-12(11)14)6-10(16-15)5-8-1-2-8/h3-4,7-8,10,16H,1-2,5-6,15H2
InChIKeyTVBXUKOXWUBSPW-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.76
Rot. Bonds5

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

[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine (PubChem CID 105253974) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is [1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
PubChem CID105253974
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
SMILESNNC(Cc1ccc(F)c(Br)c1)CC1CC1
InChIInChI=1S/C12H16BrFN2/c13-11-7-9(3-4-12(11)14)6-10(16-15)5-8-1-2-8/h3-4,7-8,10,16H,1-2,5-6,15H2
InChIKeyTVBXUKOXWUBSPW-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.76
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-cyclobutylpropan-2-yl]hydrazine
CID 103170422
[1-cyclobutyl-3-(3,4-difluorophenyl)propan-2-yl]hydrazine
CID 105310203
[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-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453
[1-cyclopropyl-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206578
[1-(3-bromo-4-fluorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105290427
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105224905
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987220

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine (CID 105253974) is [1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine is NNC(Cc1ccc(F)c(Br)c1)CC1CC1.
What is the InChIKey of [1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine?
The InChIKey is TVBXUKOXWUBSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-11-7-9(3-4-12(11)14)6-10(16-15)5-8-1-2-8/h3-4,7-8,10,16H,1-2,5-6,15H2.
What are the key properties of [1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine?
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine has a molecular weight of 287.18 g/mol, XLogP of 2.76, 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-cyclopropylpropan-2-yl]hydrazine is sourced from PubChem (CID 105253974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).