[1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine

C12H17FN2O2 — CID 105302410

IUPAC[1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
SMILESCc1cc(F)ccc1C(NN)C1COCCO1
InChIInChI=1S/C12H17FN2O2/c1-8-6-9(13)2-3-10(8)12(15-14)11-7-16-4-5-17-11/h2-3,6,11-12,15H,4-5,7,14H2,1H3
InChIKeyBBFASBPWJBAPQF-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.05
Rot. Bonds3

About [1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine

[1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine (PubChem CID 105302410) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
PubChem CID105302410
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
SMILESCc1cc(F)ccc1C(NN)C1COCCO1
InChIInChI=1S/C12H17FN2O2/c1-8-6-9(13)2-3-10(8)12(15-14)11-7-16-4-5-17-11/h2-3,6,11-12,15H,4-5,7,14H2,1H3
InChIKeyBBFASBPWJBAPQF-UHFFFAOYSA-N
XLogP1.05
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.05
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

[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine
CID 105285493
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 55120045
[1,4-dioxan-2-yl-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843367
1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 62800106
[(4-fluoro-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105256747
[1,4-dioxan-2-yl(naphthalen-1-yl)methyl]hydrazine
CID 105301200
N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 55120194
[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255383
[1,4-dioxan-2-yl(furan-2-yl)methyl]hydrazine
CID 105305979
[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
[(2,4-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229339
N-[(2,4-difluoro-5-methylphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 79725090

Frequently Asked Questions

What is the IUPAC name of [1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine?
The IUPAC name of [1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine (CID 105302410) is [1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine?
The canonical SMILES for [1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine is Cc1cc(F)ccc1C(NN)C1COCCO1.
What is the InChIKey of [1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine?
The InChIKey is BBFASBPWJBAPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8-6-9(13)2-3-10(8)12(15-14)11-7-16-4-5-17-11/h2-3,6,11-12,15H,4-5,7,14H2,1H3.
What are the key properties of [1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine?
[1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine has a molecular weight of 240.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105302410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).