[3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine

C13H17FN2O2 — CID 105333247

IUPAC[3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2=COCCC2)cc1F
InChIInChI=1S/C13H17FN2O2/c1-17-12-5-4-9(7-11(12)14)13(16-15)10-3-2-6-18-8-10/h4-5,7-8,13,16H,2-3,6,15H2,1H3
InChIKeyOZQJZNWKLHJBCY-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.03
Rot. Bonds4

About [3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine

[3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine (PubChem CID 105333247) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is [3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
PubChem CID105333247
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name[3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2=COCCC2)cc1F
InChIInChI=1S/C13H17FN2O2/c1-17-12-5-4-9(7-11(12)14)13(16-15)10-3-2-6-18-8-10/h4-5,7-8,13,16H,2-3,6,15H2,1H3
InChIKeyOZQJZNWKLHJBCY-UHFFFAOYSA-N
XLogP2.03
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.03
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

[3,4-dihydro-2H-pyran-5-yl-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208035
[(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 105333182
[3,4-dihydro-2H-pyran-5-yl-(4-iodophenyl)methyl]hydrazine
CID 105333272
[(5-chlorofuran-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106694382
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
[(3-fluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105304059
[(3-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106649927
[(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 107948201
[(3-chloro-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105223421
[(3-fluoro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105303933
[(2,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105292610
[(5-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105303967

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine (CID 105333247) is [3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)C2=COCCC2)cc1F.
What is the InChIKey of [3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
The InChIKey is OZQJZNWKLHJBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-17-12-5-4-9(7-11(12)14)13(16-15)10-3-2-6-18-8-10/h4-5,7-8,13,16H,2-3,6,15H2,1H3.
What are the key properties of [3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
[3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine has a molecular weight of 252.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105333247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).