(2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one

C18H22F2O3 — CID 67565248

IUPAC(2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@H]1OC(=O)[C@](c2ccccc2)(C2CCC(F)(F)C2)O1
InChIInChI=1S/C18H22F2O3/c1-16(2,3)15-22-14(21)18(23-15,12-7-5-4-6-8-12)13-9-10-17(19,20)11-13/h4-8,13,15H,9-11H2,1-3H3/t13?,15-,18-/m0/s1
InChIKeyNQCYLJLODLJVJC-ARJFZQPCSA-N
MW324.37 g/mol
LogP4.26
Rot. Bonds2

About (2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one

(2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one (PubChem CID 67565248) has the molecular formula C18H22F2O3 and a molecular weight of 324.37 g/mol. Its IUPAC name is (2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one
PubChem CID67565248
Molecular FormulaC18H22F2O3
Molecular Weight324.37 g/mol
Exact Mass324.15
IUPAC Name(2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@H]1OC(=O)[C@](c2ccccc2)(C2CCC(F)(F)C2)O1
InChIInChI=1S/C18H22F2O3/c1-16(2,3)15-22-14(21)18(23-15,12-7-5-4-6-8-12)13-9-10-17(19,20)11-13/h4-8,13,15H,9-11H2,1-3H3/t13?,15-,18-/m0/s1
InChIKeyNQCYLJLODLJVJC-ARJFZQPCSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one?
The IUPAC name of (2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one (CID 67565248) is (2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one?
The canonical SMILES for (2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one is CC(C)(C)[C@H]1OC(=O)[C@](c2ccccc2)(C2CCC(F)(F)C2)O1.
What is the InChIKey of (2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one?
The InChIKey is NQCYLJLODLJVJC-ARJFZQPCSA-N. The full InChI is InChI=1S/C18H22F2O3/c1-16(2,3)15-22-14(21)18(23-15,12-7-5-4-6-8-12)13-9-10-17(19,20)11-13/h4-8,13,15H,9-11H2,1-3H3/t13?,15-,18-/m0/s1.
What are the key properties of (2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one?
(2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one has a molecular weight of 324.37 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-tert-butyl-5-(3,3-difluorocyclopentyl)-5-phenyl-1,3-dioxolan-4-one is sourced from PubChem (CID 67565248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).