8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide

C13H17FN2O2 — CID 67673574

IUPAC8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide
SMILESCCCNNC(=O)c1ccc(F)c2c1CCCO2
InChIInChI=1S/C13H17FN2O2/c1-2-7-15-16-13(17)10-5-6-11(14)12-9(10)4-3-8-18-12/h5-6,15H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyYCYFXISJQZCDJD-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.80
Rot. Bonds4

About 8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide

8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide (PubChem CID 67673574) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide.

Molecular Properties

Compound Name8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide
PubChem CID67673574
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide
SMILESCCCNNC(=O)c1ccc(F)c2c1CCCO2
InChIInChI=1S/C13H17FN2O2/c1-2-7-15-16-13(17)10-5-6-11(14)12-9(10)4-3-8-18-12/h5-6,15H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyYCYFXISJQZCDJD-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide?
The IUPAC name of 8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide (CID 67673574) is 8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide.
What is the SMILES notation for 8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide?
The canonical SMILES for 8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide is CCCNNC(=O)c1ccc(F)c2c1CCCO2.
What is the InChIKey of 8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide?
The InChIKey is YCYFXISJQZCDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-7-15-16-13(17)10-5-6-11(14)12-9(10)4-3-8-18-12/h5-6,15H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide?
8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide has a molecular weight of 252.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N'-propyl-3,4-dihydro-2H-chromene-5-carbohydrazide is sourced from PubChem (CID 67673574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).