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

C13H18BrFN2O — CID 105238607

IUPAC[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESNNC(CCC1CCCO1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H18BrFN2O/c14-10-6-9(7-11(15)8-10)13(17-16)4-3-12-2-1-5-18-12/h6-8,12-13,17H,1-5,16H2
InChIKeyZCTBADDWTCDARZ-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.05
Rot. Bonds5

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

[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine (PubChem CID 105238607) 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)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
PubChem CID105238607
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESNNC(CCC1CCCO1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H18BrFN2O/c14-10-6-9(7-11(15)8-10)13(17-16)4-3-12-2-1-5-18-12/h6-8,12-13,17H,1-5,16H2
InChIKeyZCTBADDWTCDARZ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 114023446
[1-(2,5-difluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105219360
[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198583
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 107946074
[1-(3,5-dibromo-2-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105268360
[3-(oxolan-2-yl)-1-pyrimidin-5-ylpropyl]hydrazine
CID 105292141
[1-(2-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314262
[1-(4-fluoro-3-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314273
[1-(4-cyclobutylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105338158
[1-(3-bromothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314337
[1-(6-fluoro-1-benzothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314280
[1-(2-methylsulfanylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314298

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine (CID 105238607) is [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine is NNC(CCC1CCCO1)c1cc(F)cc(Br)c1.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The InChIKey is ZCTBADDWTCDARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c14-10-6-9(7-11(15)8-10)13(17-16)4-3-12-2-1-5-18-12/h6-8,12-13,17H,1-5,16H2.
What are the key properties of [1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine has a molecular weight of 317.20 g/mol, XLogP of 3.05, 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)propyl]hydrazine is sourced from PubChem (CID 105238607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).