[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine

C16H25FN2O — CID 105201628

IUPAC[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CC(C)(C)OC2(C)C)cc1F
InChIInChI=1S/C16H25FN2O/c1-10-6-7-11(8-13(10)17)14(19-18)12-9-15(2,3)20-16(12,4)5/h6-8,12,14,19H,9,18H2,1-5H3
InChIKeyJGBQKKJAJRNUJW-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.23
Rot. Bonds3

About [(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine

[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine (PubChem CID 105201628) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
PubChem CID105201628
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CC(C)(C)OC2(C)C)cc1F
InChIInChI=1S/C16H25FN2O/c1-10-6-7-11(8-13(10)17)14(19-18)12-9-15(2,3)20-16(12,4)5/h6-8,12,14,19H,9,18H2,1-5H3
InChIKeyJGBQKKJAJRNUJW-UHFFFAOYSA-N
XLogP3.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.23
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-iodophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341599
[(3-fluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 107130969
[(3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105191789
[(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341612
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053110
[(2-methylfuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105269161
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602
[(5-chlorofuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 106694790
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
[(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine
CID 107131023
(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130024
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974

Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The IUPAC name of [(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine (CID 105201628) is [(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CC(C)(C)OC2(C)C)cc1F.
What is the InChIKey of [(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The InChIKey is JGBQKKJAJRNUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-10-6-7-11(8-13(10)17)14(19-18)12-9-15(2,3)20-16(12,4)5/h6-8,12,14,19H,9,18H2,1-5H3.
What are the key properties of [(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine has a molecular weight of 280.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105201628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).