5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide

C12H10F2N2O2S — CID 81267986

IUPAC5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2c(F)cccc2F)s1
InChIInChI=1S/C12H10F2N2O2S/c13-8-2-1-3-9(14)11(8)18-6-7-4-5-10(19-7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyWKMZCEPZVFBAKM-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.21
Rot. Bonds4

About 5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide

5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide (PubChem CID 81267986) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide
PubChem CID81267986
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2c(F)cccc2F)s1
InChIInChI=1S/C12H10F2N2O2S/c13-8-2-1-3-9(14)11(8)18-6-7-4-5-10(19-7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyWKMZCEPZVFBAKM-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide (CID 81267986) is 5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide is NNC(=O)c1ccc(COc2c(F)cccc2F)s1.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide?
The InChIKey is WKMZCEPZVFBAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-8-2-1-3-9(14)11(8)18-6-7-4-5-10(19-7)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide?
5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide has a molecular weight of 284.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 81267986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).