[(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine

C15H20BrFN2OS — CID 105280900

IUPAC[(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1ccc(Br)cc1F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H20BrFN2OS/c16-11-1-2-12(13(17)7-11)14(19-18)10-3-5-20-15(8-10)4-6-21-9-15/h1-2,7,10,14,19H,3-6,8-9,18H2
InChIKeyYXWLKENIUMWFMA-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.39
Rot. Bonds3

About [(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine

[(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 105280900) has the molecular formula C15H20BrFN2OS and a molecular weight of 375.31 g/mol. Its IUPAC name is [(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID105280900
Molecular FormulaC15H20BrFN2OS
Molecular Weight375.31 g/mol
Exact Mass374.05
IUPAC Name[(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1ccc(Br)cc1F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H20BrFN2OS/c16-11-1-2-12(13(17)7-11)14(19-18)10-3-5-20-15(8-10)4-6-21-9-15/h1-2,7,10,14,19H,3-6,8-9,18H2
InChIKeyYXWLKENIUMWFMA-UHFFFAOYSA-N
XLogP3.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105281074
[(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860112
[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325971
[(5-fluoro-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248353
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849
(4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 115823429
[(2,5-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322235
6-oxa-2-thiaspiro[4.5]decan-9-yl-(2,3,4-trifluorophenyl)methanol
CID 115823440
[(3-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325887
[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254731
[(5-methylpyrazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325943
[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193247

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 105280900) is [(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine is NNC(c1ccc(Br)cc1F)C1CCOC2(CCSC2)C1.
What is the InChIKey of [(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is YXWLKENIUMWFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2OS/c16-11-1-2-12(13(17)7-11)14(19-18)10-3-5-20-15(8-10)4-6-21-9-15/h1-2,7,10,14,19H,3-6,8-9,18H2.
What are the key properties of [(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine has a molecular weight of 375.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 105280900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).