4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide

C11H13FN2O2S — CID 107459218

IUPAC4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1ccc(F)c(CSC2COC2)c1
InChIInChI=1S/C11H13FN2O2S/c12-10-2-1-7(11(15)14-13)3-8(10)6-17-9-4-16-5-9/h1-3,9H,4-6,13H2,(H,14,15)
InChIKeyZKPZWXOAFOYQMU-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.06
Rot. Bonds4

About 4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide

4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide (PubChem CID 107459218) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide
PubChem CID107459218
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC Name4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1ccc(F)c(CSC2COC2)c1
InChIInChI=1S/C11H13FN2O2S/c12-10-2-1-7(11(15)14-13)3-8(10)6-17-9-4-16-5-9/h1-3,9H,4-6,13H2,(H,14,15)
InChIKeyZKPZWXOAFOYQMU-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-aminophenyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459173
3-(cyclopentylsulfanylmethyl)-4-fluorobenzoic acid
CID 63115742
4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 107459185
4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 107458428
4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide
CID 107459054
3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459124
3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458852
3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459175
3-[(2-amino-3-methylphenyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459216
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459005
4-fluoro-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 107459092

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide?
The IUPAC name of 4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide (CID 107459218) is 4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for 4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide?
The canonical SMILES for 4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide is NNC(=O)c1ccc(F)c(CSC2COC2)c1.
What is the InChIKey of 4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide?
The InChIKey is ZKPZWXOAFOYQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c12-10-2-1-7(11(15)14-13)3-8(10)6-17-9-4-16-5-9/h1-3,9H,4-6,13H2,(H,14,15).
What are the key properties of 4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide?
4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide has a molecular weight of 256.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 107459218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).