(4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane

C23H19F3O2 — CID 134839441

IUPAC(4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane
SMILESFC(F)(F)[C@H](c1ccccc1)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H19F3O2/c24-23(25,26)19(16-10-4-1-5-11-16)22-27-20(17-12-6-2-7-13-17)21(28-22)18-14-8-3-9-15-18/h1-15,19-22H/t19-,20-,21-/m1/s1
InChIKeyGTCIODSDRAYDJO-NJDAHSKKSA-N
MW384.40 g/mol
LogP6.19
Rot. Bonds4

About (4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane

(4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane (PubChem CID 134839441) has the molecular formula C23H19F3O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is (4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane
PubChem CID134839441
Molecular FormulaC23H19F3O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC Name(4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane
SMILESFC(F)(F)[C@H](c1ccccc1)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H19F3O2/c24-23(25,26)19(16-10-4-1-5-11-16)22-27-20(17-12-6-2-7-13-17)21(28-22)18-14-8-3-9-15-18/h1-15,19-22H/t19-,20-,21-/m1/s1
InChIKeyGTCIODSDRAYDJO-NJDAHSKKSA-N
XLogP6.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane (CID 134839441) is (4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane is FC(F)(F)[C@H](c1ccccc1)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane?
The InChIKey is GTCIODSDRAYDJO-NJDAHSKKSA-N. The full InChI is InChI=1S/C23H19F3O2/c24-23(25,26)19(16-10-4-1-5-11-16)22-27-20(17-12-6-2-7-13-17)21(28-22)18-14-8-3-9-15-18/h1-15,19-22H/t19-,20-,21-/m1/s1.
What are the key properties of (4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane?
(4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane has a molecular weight of 384.40 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane is sourced from PubChem (CID 134839441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).