[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine

C13H17FN2O — CID 102649912

IUPAC[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
SMILESCc1cc(C(NN)C2=CCCCO2)ccc1F
InChIInChI=1S/C13H17FN2O/c1-9-8-10(5-6-11(9)14)13(16-15)12-4-2-3-7-17-12/h4-6,8,13,16H,2-3,7,15H2,1H3
InChIKeyXPIBNKUQNBTLEI-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.33
Rot. Bonds3

About [3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine

[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine (PubChem CID 102649912) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is [3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
PubChem CID102649912
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
SMILESCc1cc(C(NN)C2=CCCCO2)ccc1F
InChIInChI=1S/C13H17FN2O/c1-9-8-10(5-6-11(9)14)13(16-15)12-4-2-3-7-17-12/h4-6,8,13,16H,2-3,7,15H2,1H3
InChIKeyXPIBNKUQNBTLEI-UHFFFAOYSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.33
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

[(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649888
[(3-chloro-4-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 102654140
[(4-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105193237
[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105201447
[3,4-dihydro-2H-pyran-6-yl-(3-ethoxyphenyl)methyl]hydrazine
CID 102649871
[(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204027
(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647123
1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 102651298
[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649953
[2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methyl]hydrazine
CID 102654461
[(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204191
[(4-fluoro-3-methylphenyl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269294

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine (CID 102649912) is [3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine is Cc1cc(C(NN)C2=CCCCO2)ccc1F.
What is the InChIKey of [3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine?
The InChIKey is XPIBNKUQNBTLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-8-10(5-6-11(9)14)13(16-15)12-4-2-3-7-17-12/h4-6,8,13,16H,2-3,7,15H2,1H3.
What are the key properties of [3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine?
[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine has a molecular weight of 236.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 102649912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).