[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine

C13H19FN2O — CID 106884319

IUPAC[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CCOC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-8-5-9(2)12(11(14)6-8)13(16-15)10-3-4-17-7-10/h5-6,10,13,16H,3-4,7,15H2,1-2H3
InChIKeyXBVLXVXGGFGQHD-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.98
Rot. Bonds3

About [(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine

[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine (PubChem CID 106884319) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
PubChem CID106884319
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CCOC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-8-5-9(2)12(11(14)6-8)13(16-15)10-3-4-17-7-10/h5-6,10,13,16H,3-4,7,15H2,1-2H3
InChIKeyXBVLXVXGGFGQHD-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.98
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

[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106884320
[(2,4-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229339
[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884400
[(5-chloro-2-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306666
1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 115714685
[(5-methyl-3-pyridinyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229346
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884464
[(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306637
(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242074
1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883666
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857
[(2-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106793716

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine?
The IUPAC name of [(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine (CID 106884319) is [(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine is Cc1cc(C)c(C(NN)C2CCOC2)c(F)c1.
What is the InChIKey of [(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine?
The InChIKey is XBVLXVXGGFGQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-8-5-9(2)12(11(14)6-8)13(16-15)10-3-4-17-7-10/h5-6,10,13,16H,3-4,7,15H2,1-2H3.
What are the key properties of [(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine?
[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine has a molecular weight of 238.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 106884319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).