[(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine

C12H17FN2OS — CID 105249535

IUPAC[(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
SMILESCc1ccc(F)c(C(NN)C2CSCCO2)c1
InChIInChI=1S/C12H17FN2OS/c1-8-2-3-10(13)9(6-8)12(15-14)11-7-17-5-4-16-11/h2-3,6,11-12,15H,4-5,7,14H2,1H3
InChIKeyZJNHAOBVCYSVAS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.77
Rot. Bonds3

About [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine

[(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine (PubChem CID 105249535) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
PubChem CID105249535
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name[(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
SMILESCc1ccc(F)c(C(NN)C2CSCCO2)c1
InChIInChI=1S/C12H17FN2OS/c1-8-2-3-10(13)9(6-8)12(15-14)11-7-17-5-4-16-11/h2-3,6,11-12,15H,4-5,7,14H2,1H3
InChIKeyZJNHAOBVCYSVAS-UHFFFAOYSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.77
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'}

Analyze [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2-fluoro-5-methylphenyl)-(oxan-2-yl)methyl]hydrazine
CID 105302766
[(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249537
[(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249716
[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105234789
[(2,2-dimethylcyclopropyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 107005656
[(2-fluoro-5-methylphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210507
[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]hydrazine
CID 102654255
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 106881803
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249499
N-[(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 106881806
N-[(4-fluoro-2-methylphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 79963662

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
The IUPAC name of [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine (CID 105249535) is [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine is Cc1ccc(F)c(C(NN)C2CSCCO2)c1.
What is the InChIKey of [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
The InChIKey is ZJNHAOBVCYSVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-8-2-3-10(13)9(6-8)12(15-14)11-7-17-5-4-16-11/h2-3,6,11-12,15H,4-5,7,14H2,1H3.
What are the key properties of [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
[(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine has a molecular weight of 256.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).