3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide

C12H10BrFN2O2S — CID 63641055

IUPAC3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1COc1ccc(Br)cc1F
InChIInChI=1S/C12H10BrFN2O2S/c13-8-1-2-10(9(14)5-8)18-6-7-3-4-19-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyXGGFXKGYMKFSNQ-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.83
Rot. Bonds4

About 3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide

3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide (PubChem CID 63641055) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide
PubChem CID63641055
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1COc1ccc(Br)cc1F
InChIInChI=1S/C12H10BrFN2O2S/c13-8-1-2-10(9(14)5-8)18-6-7-3-4-19-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyXGGFXKGYMKFSNQ-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 52.83
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-[(3,5-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63640372
3-[(2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63640012
3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458149
[5-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanol
CID 89437129
3-[(2-butan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63640538
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
methyl 4-(4-bromo-2-fluorophenoxy)butanoate
CID 43378172
4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 114677082
3-[(3-bromo-5-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 81322068
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 34574346
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide (CID 63641055) is 3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1COc1ccc(Br)cc1F.
What is the InChIKey of 3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide?
The InChIKey is XGGFXKGYMKFSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-8-1-2-10(9(14)5-8)18-6-7-3-4-19-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide?
3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide has a molecular weight of 345.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenoxy)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63641055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).