(4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one

C24H27F11O15 — CID 167586871

About (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one

(4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 167586871) has the molecular formula C24H27F11O15 and a molecular weight of 764.44 g/mol. Its IUPAC name is (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

• Compound Name: (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
• PubChem CID: 167586871
• Molecular Formula: C24H27F11O15
• Molecular Weight: 764.44 g/mol
• Exact Mass: 764.12
• IUPAC Name: (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
• SMILES: C[C@@H]1OC(=O)O[C@@]1(C)C(F)(F)F.C[C@@H]1OC(=O)O[C@H]1F.C[C@H]1OC(=O)O[C@H]1C(F)(F)F.C[C@H]1OC(=O)O[C@H]1F.C[C@]1(C(F)(F)F)COC(=O)O1
• InChI: InChI=1S/C6H7F3O3.2C5H5F3O3.2C4H5FO3/c1-3-5(2,6(7,8)9)12-4(10)11-3;1-4(5(6,7)8)2-10-3(9)11-4;1-2-3(5(6,7)8)11-4(9)10-2;2*1-2-3(5)8-4(6)7-2/h3H,1-2H3;2H2,1H3;2-3H,1H3;2*2-3H,1H3/t3-,5+;4-;2-,3-;2-,3+;2-,3-/m01101/s1
• InChIKey: HXKSMKDSBSNAQF-XLFYBGQOSA-N
• XLogP: 6.48
• TPSA: 177.65 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	764.44
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?

The IUPAC name of (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one (CID 167586871) is (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one.

What is the SMILES notation for (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?

The canonical SMILES for (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one is C[C@@H]1OC(=O)O[C@@]1(C)C(F)(F)F.C[C@@H]1OC(=O)O[C@H]1F.C[C@H]1OC(=O)O[C@H]1C(F)(F)F.C[C@H]1OC(=O)O[C@H]1F.C[C@]1(C(F)(F)F)COC(=O)O1.

What is the InChIKey of (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?

The InChIKey is HXKSMKDSBSNAQF-XLFYBGQOSA-N. The full InChI is InChI=1S/C6H7F3O3.2C5H5F3O3.2C4H5FO3/c1-3-5(2,6(7,8)9)12-4(10)11-3;1-4(5(6,7)8)2-10-3(9)11-4;1-2-3(5(6,7)8)11-4(9)10-2;2*1-2-3(5)8-4(6)7-2/h3H,1-2H3;2H2,1H3;2-3H,1H3;2*2-3H,1H3/t3-,5+;4-;2-,3-;2-,3+;2-,3-/m01101/s1.

What are the key properties of (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?

(4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 764.44 g/mol, XLogP of 6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-4,5-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4S,5R)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4S,5S)-4-fluoro-5-methyl-1,3-dioxolan-2-one;(4R)-4-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one;(4R,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 167586871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).