[(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine

C16H22BrFN2O — CID 105325503

IUPAC[(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1cc(F)ccc1Br)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H22BrFN2O/c17-14-4-3-12(18)9-13(14)15(20-19)11-5-8-21-16(10-11)6-1-2-7-16/h3-4,9,11,15,20H,1-2,5-8,10,19H2
InChIKeyKWPOQMRLMTVPBJ-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.83
Rot. Bonds3

About [(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine

[(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 105325503) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is [(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID105325503
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC Name[(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1cc(F)ccc1Br)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H22BrFN2O/c17-14-4-3-12(18)9-13(14)15(20-19)11-5-8-21-16(10-11)6-1-2-7-16/h3-4,9,11,15,20H,1-2,5-8,10,19H2
InChIKeyKWPOQMRLMTVPBJ-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

[(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
[(4-fluoro-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105256747
(2-bromo-5-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016281
[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107954284
[(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105281074
[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105257533
[(2-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325647
[(3-chloro-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105223476
2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline
CID 105223968
[(3,4-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105197240
[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313608

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 105325503) is [(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine is NNC(c1cc(F)ccc1Br)C1CCOC2(CCCC2)C1.
What is the InChIKey of [(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is KWPOQMRLMTVPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c17-14-4-3-12(18)9-13(14)15(20-19)11-5-8-21-16(10-11)6-1-2-7-16/h3-4,9,11,15,20H,1-2,5-8,10,19H2.
What are the key properties of [(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(2-bromo-5-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 [(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 105325503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).