6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine

C18H24F3NO7 — CID 101191990

About 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine

6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine (PubChem CID 101191990) has the molecular formula C18H24F3NO7 and a molecular weight of 423.38 g/mol. Its IUPAC name is 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine.

Molecular Properties

• Compound Name: 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine
• PubChem CID: 101191990
• Molecular Formula: C18H24F3NO7
• Molecular Weight: 423.38 g/mol
• Exact Mass: 423.15
• IUPAC Name: 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine
• SMILES: CC1=CC(C(F)(F)F)=NOC1O[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1COC(C)(C)O1
• InChI: InChI=1S/C18H24F3NO7/c1-8-6-10(18(19,20)21)22-29-14(8)25-12-11(9-7-23-16(2,3)26-9)24-15-13(12)27-17(4,5)28-15/h6,9,11-15H,7H2,1-5H3/t9-,11-,12+,13-,14?,15-/m1/s1
• InChIKey: REOQBDZDHRIGRQ-JBGUBGKCSA-N
• XLogP: 2.62
• TPSA: 76.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.38
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine?

The IUPAC name of 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine (CID 101191990) is 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine.

What is the SMILES notation for 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine?

The canonical SMILES for 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine is CC1=CC(C(F)(F)F)=NOC1O[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1COC(C)(C)O1.

What is the InChIKey of 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine?

The InChIKey is REOQBDZDHRIGRQ-JBGUBGKCSA-N. The full InChI is InChI=1S/C18H24F3NO7/c1-8-6-10(18(19,20)21)22-29-14(8)25-12-11(9-7-23-16(2,3)26-9)24-15-13(12)27-17(4,5)28-15/h6,9,11-15H,7H2,1-5H3/t9-,11-,12+,13-,14?,15-/m1/s1.

What are the key properties of 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine?

6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine has a molecular weight of 423.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-(trifluoromethyl)-6H-oxazine is sourced from PubChem (CID 101191990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).