N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide

C12H13FN2O2S — CID 7969859

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)C1CC1
InChIInChI=1S/C12H13FN2O2S/c13-9-3-1-2-4-10(9)18-7-11(16)14-15-12(17)8-5-6-8/h1-4,8H,5-7H2,(H,14,16)(H,15,17)
InChIKeyRFIUBIXQOCOSQA-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.48
Rot. Bonds4

About N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide (PubChem CID 7969859) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide
PubChem CID7969859
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)C1CC1
InChIInChI=1S/C12H13FN2O2S/c13-9-3-1-2-4-10(9)18-7-11(16)14-15-12(17)8-5-6-8/h1-4,8H,5-7H2,(H,14,16)(H,15,17)
InChIKeyRFIUBIXQOCOSQA-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide (CID 7969859) is N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide is O=C(CSc1ccccc1F)NNC(=O)C1CC1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide?
The InChIKey is RFIUBIXQOCOSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c13-9-3-1-2-4-10(9)18-7-11(16)14-15-12(17)8-5-6-8/h1-4,8H,5-7H2,(H,14,16)(H,15,17).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide has a molecular weight of 268.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 7969859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).