N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C19H28F4N4O5 — CID 178007795

IUPACN'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC.CC(=O)NNC(=O)N1CCC2OC(C)(C)OC2C1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H19N3O4.C6H3F4NO.C2H6/c1-7(15)12-13-10(16)14-5-4-8-9(6-14)18-11(2,3)17-8;7-6(8,9)4-2-1-3-5(11-4)12-10;1-2/h8-9H,4-6H2,1-3H3,(H,12,15)(H,13,16);1-3H;1-2H3
InChIKeyCGMINNGZZCGZLB-UHFFFAOYSA-N
MW468.45 g/mol
LogP3.36
Rot. Bonds1

About N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 178007795) has the molecular formula C19H28F4N4O5 and a molecular weight of 468.45 g/mol. Its IUPAC name is N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound NameN'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID178007795
Molecular FormulaC19H28F4N4O5
Molecular Weight468.45 g/mol
Exact Mass468.20
IUPAC NameN'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC.CC(=O)NNC(=O)N1CCC2OC(C)(C)OC2C1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H19N3O4.C6H3F4NO.C2H6/c1-7(15)12-13-10(16)14-5-4-8-9(6-14)18-11(2,3)17-8;7-6(8,9)4-2-1-3-5(11-4)12-10;1-2/h8-9H,4-6H2,1-3H3,(H,12,15)(H,13,16);1-3H;1-2H3
InChIKeyCGMINNGZZCGZLB-UHFFFAOYSA-N
XLogP3.36
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite with MolForge

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Related Compounds

(3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide
CID 171557401
(3aS,7S,7aR)-N'-acetyl-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide
CID 171557988
N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 177015456
N'-benzoyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178007730
2,2-Dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178008312

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 178007795) is N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC.CC(=O)NNC(=O)N1CCC2OC(C)(C)OC2C1.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is CGMINNGZZCGZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4.C6H3F4NO.C2H6/c1-7(15)12-13-10(16)14-5-4-8-9(6-14)18-11(2,3)17-8;7-6(8,9)4-2-1-3-5(11-4)12-10;1-2/h8-9H,4-6H2,1-3H3,(H,12,15)(H,13,16);1-3H;1-2H3.
What are the key properties of N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 468.45 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 178007795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).