(2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid

C24H33F5O5Si — CID 171478534

About (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid

(2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid (PubChem CID 171478534) has the molecular formula C24H33F5O5Si and a molecular weight of 524.60 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid
• PubChem CID: 171478534
• Molecular Formula: C24H33F5O5Si
• Molecular Weight: 524.60 g/mol
• Exact Mass: 524.20
• IUPAC Name: (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid
• SMILES: C[C@H]1[C@@H](c2ccc(F)c(F)c2OC2CC(O[Si](C)(C)C(C)(C)C)C2)[C@H](C(=O)O)O[C@@]1(C)C(F)(F)F
• InChI: InChI=1S/C24H33F5O5Si/c1-12-17(20(21(30)31)33-23(12,5)24(27,28)29)15-8-9-16(25)18(26)19(15)32-13-10-14(11-13)34-35(6,7)22(2,3)4/h8-9,12-14,17,20H,10-11H2,1-7H3,(H,30,31)/t12-,13?,14?,17-,20+,23+/m0/s1
• InChIKey: VLWJGLYJHLHHTH-FYBNIFHFSA-N
• XLogP: 6.42
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.60
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid?

The IUPAC name of (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid (CID 171478534) is (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid.

What is the SMILES notation for (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid?

The canonical SMILES for (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid is C[C@H]1[C@@H](c2ccc(F)c(F)c2OC2CC(O[Si](C)(C)C(C)(C)C)C2)[C@H](C(=O)O)O[C@@]1(C)C(F)(F)F.

What is the InChIKey of (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid?

The InChIKey is VLWJGLYJHLHHTH-FYBNIFHFSA-N. The full InChI is InChI=1S/C24H33F5O5Si/c1-12-17(20(21(30)31)33-23(12,5)24(27,28)29)15-8-9-16(25)18(26)19(15)32-13-10-14(11-13)34-35(6,7)22(2,3)4/h8-9,12-14,17,20H,10-11H2,1-7H3,(H,30,31)/t12-,13?,14?,17-,20+,23+/m0/s1.

What are the key properties of (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid?

(2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid has a molecular weight of 524.60 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R)-3-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 171478534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).