5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide

C12H14F2N2O2S — CID 63582880

IUPAC5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CSc2ccc(F)c(F)c2)O1
InChIInChI=1S/C12H14F2N2O2S/c13-9-3-2-8(5-10(9)14)19-6-7-1-4-11(18-7)12(17)16-15/h2-3,5,7,11H,1,4,6,15H2,(H,16,17)
InChIKeyKENPLIXBSQYQTP-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.59
Rot. Bonds4

About 5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide

5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide (PubChem CID 63582880) has the molecular formula C12H14F2N2O2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide
PubChem CID63582880
Molecular FormulaC12H14F2N2O2S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CSc2ccc(F)c(F)c2)O1
InChIInChI=1S/C12H14F2N2O2S/c13-9-3-2-8(5-10(9)14)19-6-7-1-4-11(18-7)12(17)16-15/h2-3,5,7,11H,1,4,6,15H2,(H,16,17)
InChIKeyKENPLIXBSQYQTP-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.59
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]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide (CID 63582880) is 5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(CSc2ccc(F)c(F)c2)O1.
What is the InChIKey of 5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide?
The InChIKey is KENPLIXBSQYQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2S/c13-9-3-2-8(5-10(9)14)19-6-7-1-4-11(18-7)12(17)16-15/h2-3,5,7,11H,1,4,6,15H2,(H,16,17).
What are the key properties of 5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide?
5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide has a molecular weight of 288.32 g/mol, XLogP of 1.59, 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]oxolane-2-carbohydrazide is sourced from PubChem (CID 63582880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).