[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine

C16H22BrFN2O — CID 107954284

IUPAC[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1cccc(Br)c1F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H22BrFN2O/c17-13-5-3-4-12(14(13)18)15(20-19)11-6-9-21-16(10-11)7-1-2-8-16/h3-5,11,15,20H,1-2,6-10,19H2
InChIKeyXRBLDEBGENOHSJ-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.83
Rot. Bonds3

About [(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine

[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 107954284) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is [(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID107954284
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC Name[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1cccc(Br)c1F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H22BrFN2O/c17-13-5-3-4-12(14(13)18)15(20-19)11-6-9-21-16(10-11)7-1-2-8-16/h3-5,11,15,20H,1-2,6-10,19H2
InChIKeyXRBLDEBGENOHSJ-UHFFFAOYSA-N
XLogP3.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.83
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

[(3-chloro-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105223476
N-[(3-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107953361
[(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325503
2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline
CID 105223968
[(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105281074
[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322135
[(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105219487
[(2,5-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322235
[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322205
[(4-fluoro-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105256747
[(4-methyl-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105279930
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915288

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 107954284) is [(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine is NNC(c1cccc(Br)c1F)C1CCOC2(CCCC2)C1.
What is the InChIKey of [(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is XRBLDEBGENOHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c17-13-5-3-4-12(14(13)18)15(20-19)11-6-9-21-16(10-11)7-1-2-8-16/h3-5,11,15,20H,1-2,6-10,19H2.
What are the key properties of [(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine has a molecular weight of 357.27 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 107954284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).