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

C13H18BrFN2O — CID 105198583

IUPAC[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
SMILESNNC(Cc1cc(F)cc(Br)c1)CC1CCCO1
InChIInChI=1S/C13H18BrFN2O/c14-10-4-9(5-11(15)7-10)6-12(17-16)8-13-2-1-3-18-13/h4-5,7,12-13,17H,1-3,6,8,16H2
InChIKeyZCIHSSFQXWERGC-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.53
Rot. Bonds5

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

[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine (PubChem CID 105198583) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
PubChem CID105198583
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
SMILESNNC(Cc1cc(F)cc(Br)c1)CC1CCCO1
InChIInChI=1S/C13H18BrFN2O/c14-10-4-9(5-11(15)7-10)6-12(17-16)8-13-2-1-3-18-13/h4-5,7,12-13,17H,1-3,6,8,16H2
InChIKeyZCIHSSFQXWERGC-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.53
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-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 79708965
[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105324755
[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105238607
[1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105198717
[1-(oxolan-2-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105198709
[1-cyclopropyl-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206578
N-[(3-bromo-5-fluorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 79710773
1,4-bis(oxolan-2-yl)butan-2-ylhydrazine
CID 105198575
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105211313
[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105267542
[1-(3-bromo-5-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105324738

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine (CID 105198583) is [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine is NNC(Cc1cc(F)cc(Br)c1)CC1CCCO1.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine?
The InChIKey is ZCIHSSFQXWERGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c14-10-4-9(5-11(15)7-10)6-12(17-16)8-13-2-1-3-18-13/h4-5,7,12-13,17H,1-3,6,8,16H2.
What are the key properties of [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine?
[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine has a molecular weight of 317.20 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105198583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).