methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate

C18H13F5O4 — CID 11234610

IUPACmethyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)[C@@]1(C(F)(F)F)O[C@H](c2ccc(F)cc2)O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H13F5O4/c1-25-16(24)17(18(21,22)23)14(10-2-6-12(19)7-3-10)26-15(27-17)11-4-8-13(20)9-5-11/h2-9,14-15H,1H3/t14-,15+,17-/m0/s1
InChIKeyUCFLTGZWMULDMM-UXLLHSPISA-N
MW388.29 g/mol
LogP4.23
Rot. Bonds3

About methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate

methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate (PubChem CID 11234610) has the molecular formula C18H13F5O4 and a molecular weight of 388.29 g/mol. Its IUPAC name is methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate
PubChem CID11234610
Molecular FormulaC18H13F5O4
Molecular Weight388.29 g/mol
Exact Mass388.07
IUPAC Namemethyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)[C@@]1(C(F)(F)F)O[C@H](c2ccc(F)cc2)O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H13F5O4/c1-25-16(24)17(18(21,22)23)14(10-2-6-12(19)7-3-10)26-15(27-17)11-4-8-13(20)9-5-11/h2-9,14-15H,1H3/t14-,15+,17-/m0/s1
InChIKeyUCFLTGZWMULDMM-UXLLHSPISA-N
XLogP4.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate (CID 11234610) is methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate is COC(=O)[C@@]1(C(F)(F)F)O[C@H](c2ccc(F)cc2)O[C@H]1c1ccc(F)cc1.
What is the InChIKey of methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate?
The InChIKey is UCFLTGZWMULDMM-UXLLHSPISA-N. The full InChI is InChI=1S/C18H13F5O4/c1-25-16(24)17(18(21,22)23)14(10-2-6-12(19)7-3-10)26-15(27-17)11-4-8-13(20)9-5-11/h2-9,14-15H,1H3/t14-,15+,17-/m0/s1.
What are the key properties of methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate?
methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate has a molecular weight of 388.29 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S,5S)-2,5-bis(4-fluorophenyl)-4-(trifluoromethyl)-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 11234610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).