N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide

C10H12F3N3O3 — CID 78872257

IUPACN'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(OCC(F)(F)F)C(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C10H12F3N3O3/c1-6(19-5-10(11,12)13)8(17)15-16-9(18)7-3-2-4-14-7/h2-4,6,14H,5H2,1H3,(H,15,17)(H,16,18)
InChIKeyOLDQMDYTBICJOL-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.74
Rot. Bonds4

About N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide

N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78872257) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78872257
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC NameN'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(OCC(F)(F)F)C(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C10H12F3N3O3/c1-6(19-5-10(11,12)13)8(17)15-16-9(18)7-3-2-4-14-7/h2-4,6,14H,5H2,1H3,(H,15,17)(H,16,18)
InChIKeyOLDQMDYTBICJOL-UHFFFAOYSA-N
XLogP0.74
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.74
H-Bond Donors ≤ 53
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-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide (CID 78872257) is N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide is CC(OCC(F)(F)F)C(=O)NNC(=O)c1ccc[nH]1.
What is the InChIKey of N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is OLDQMDYTBICJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-6(19-5-10(11,12)13)8(17)15-16-9(18)7-3-2-4-14-7/h2-4,6,14H,5H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide?
N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 279.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78872257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).