5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide

C12H10F2N2O2S — CID 55214862

IUPAC5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H10F2N2O2S/c13-10-2-1-9(4-11(10)14)19-6-8-3-7(5-18-8)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyMHANCUYKVPFHST-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.45
Rot. Bonds4

About 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide

5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 55214862) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID55214862
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H10F2N2O2S/c13-10-2-1-9(4-11(10)14)19-6-8-3-7(5-18-8)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyMHANCUYKVPFHST-UHFFFAOYSA-N
XLogP2.45
TPSA68.26 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 ≤ 52.45
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-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide (CID 55214862) is 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1coc(CSc2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is MHANCUYKVPFHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-10-2-1-9(4-11(10)14)19-6-8-3-7(5-18-8)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 284.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 55214862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).