tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C31H50F4N2O6 — CID 171557165

About tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 171557165) has the molecular formula C31H50F4N2O6 and a molecular weight of 622.74 g/mol. Its IUPAC name is tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

• Compound Name: tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
• PubChem CID: 171557165
• Molecular Formula: C31H50F4N2O6
• Molecular Weight: 622.74 g/mol
• Exact Mass: 622.36
• IUPAC Name: tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
• SMILES: CC(=O)OC(C)(C)C.CCCCC1(CCC)CN(CC2OCCC3OC(C)(C)OC23)C1.FOc1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C19H35NO3.C6H3F4NO.C6H12O2/c1-5-7-10-19(9-6-2)13-20(14-19)12-16-17-15(8-11-21-16)22-18(3,4)23-17;7-6(8,9)4-2-1-3-5(11-4)12-10;1-5(7)8-6(2,3)4/h15-17H,5-14H2,1-4H3;1-3H;1-4H3
• InChIKey: IOLXDGIJRPFPKA-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 79.35 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.74
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?

The IUPAC name of tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 171557165) is tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

What is the SMILES notation for tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?

The canonical SMILES for tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC(=O)OC(C)(C)C.CCCCC1(CCC)CN(CC2OCCC3OC(C)(C)OC23)C1.FOc1cccc(C(F)(F)F)n1.

What is the InChIKey of tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?

The InChIKey is IOLXDGIJRPFPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3.C6H3F4NO.C6H12O2/c1-5-7-10-19(9-6-2)13-20(14-19)12-16-17-15(8-11-21-16)22-18(3,4)23-17;7-6(8,9)4-2-1-3-5(11-4)12-10;1-5(7)8-6(2,3)4/h15-17H,5-14H2,1-4H3;1-3H;1-4H3.

What are the key properties of tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?

tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 622.74 g/mol, XLogP of 7.30, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 171557165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).