[(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine

C15H20BrFN2O — CID 105281074

IUPAC[(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
SMILESNNC(c1ccc(Br)cc1F)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H20BrFN2O/c16-11-2-3-12(13(17)8-11)14(19-18)10-4-7-20-15(9-10)5-1-6-15/h2-3,8,10,14,19H,1,4-7,9,18H2
InChIKeyLEKKKOCPVRZHAK-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.44
Rot. Bonds3

About [(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine

[(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine (PubChem CID 105281074) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is [(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
PubChem CID105281074
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name[(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
SMILESNNC(c1ccc(Br)cc1F)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H20BrFN2O/c16-11-2-3-12(13(17)8-11)14(19-18)10-4-7-20-15(9-10)5-1-6-15/h2-3,8,10,14,19H,1,4-7,9,18H2
InChIKeyLEKKKOCPVRZHAK-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.44
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

[(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105280900
[(2,5-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322235
[(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325503
[(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105219487
[(3,4-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105197240
[(4-fluoro-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105256747
[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107954284
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322205
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(4-bromo-2,6-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010389
[(3-chloro-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105223476

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine (CID 105281074) is [(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine is NNC(c1ccc(Br)cc1F)C1CCOC2(CCC2)C1.
What is the InChIKey of [(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The InChIKey is LEKKKOCPVRZHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c16-11-2-3-12(13(17)8-11)14(19-18)10-4-7-20-15(9-10)5-1-6-15/h2-3,8,10,14,19H,1,4-7,9,18H2.
What are the key properties of [(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
[(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine has a molecular weight of 343.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine is sourced from PubChem (CID 105281074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).