[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine

C17H25FN2O — CID 105257533

IUPAC[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)C2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C17H25FN2O/c1-12-8-14(10-15(18)9-12)16(20-19)13-4-7-21-17(11-13)5-2-3-6-17/h8-10,13,16,20H,2-7,11,19H2,1H3
InChIKeyKSVMRPIZCLUJFC-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.38
Rot. Bonds3

About [(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine

[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 105257533) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is [(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID105257533
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)C2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C17H25FN2O/c1-12-8-14(10-15(18)9-12)16(20-19)13-4-7-21-17(11-13)5-2-3-6-17/h8-10,13,16,20H,2-7,11,19H2,1H3
InChIKeyKSVMRPIZCLUJFC-UHFFFAOYSA-N
XLogP3.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.38
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-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016685
[(4-fluoro-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105256747
[(3,4-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105197240
[(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-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325550
[cycloheptyl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105232121
[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325420
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105220110
[furan-3-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105221431
[(5-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105325208

Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 105257533) is [(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine is Cc1cc(F)cc(C(NN)C2CCOC3(CCCC3)C2)c1.
What is the InChIKey of [(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is KSVMRPIZCLUJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12-8-14(10-15(18)9-12)16(20-19)13-4-7-21-17(11-13)5-2-3-6-17/h8-10,13,16,20H,2-7,11,19H2,1H3.
What are the key properties of [(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine has a molecular weight of 292.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 105257533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).