(2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide

C13H11F3N2O4 — CID 2492080

IUPAC(2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide
SMILESC[C@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)NN
InChIInChI=1S/C13H11F3N2O4/c1-6(12(20)18-17)21-7-2-3-8-9(13(14,15)16)5-11(19)22-10(8)4-7/h2-6H,17H2,1H3,(H,18,20)/t6-/m0/s1
InChIKeyOGSKPTIRPJAMMI-LURJTMIESA-N
MW316.24 g/mol
LogP1.57
Rot. Bonds3

About (2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide

(2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide (PubChem CID 2492080) has the molecular formula C13H11F3N2O4 and a molecular weight of 316.24 g/mol. Its IUPAC name is (2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide.

Molecular Properties

Compound Name(2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide
PubChem CID2492080
Molecular FormulaC13H11F3N2O4
Molecular Weight316.24 g/mol
Exact Mass316.07
IUPAC Name(2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide
SMILESC[C@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)NN
InChIInChI=1S/C13H11F3N2O4/c1-6(12(20)18-17)21-7-2-3-8-9(13(14,15)16)5-11(19)22-10(8)4-7/h2-6H,17H2,1H3,(H,18,20)/t6-/m0/s1
InChIKeyOGSKPTIRPJAMMI-LURJTMIESA-N
XLogP1.57
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-propan-2-ylacetamide
CID 29405533
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 55321270
7-hydrazinyl-4-(trifluoromethyl)chromen-2-one
CID 53404250
N-(2-methylbutan-2-yl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 36555062
N-(2,6-diethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405432
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405387
2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
CID 728602

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide?
The IUPAC name of (2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide (CID 2492080) is (2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide.
What is the SMILES notation for (2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide?
The canonical SMILES for (2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide is C[C@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)NN.
What is the InChIKey of (2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide?
The InChIKey is OGSKPTIRPJAMMI-LURJTMIESA-N. The full InChI is InChI=1S/C13H11F3N2O4/c1-6(12(20)18-17)21-7-2-3-8-9(13(14,15)16)5-11(19)22-10(8)4-7/h2-6H,17H2,1H3,(H,18,20)/t6-/m0/s1.
What are the key properties of (2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide?
(2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide has a molecular weight of 316.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide is sourced from PubChem (CID 2492080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).