(5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one

C19H24F2O3 — CID 67537909

IUPAC(5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one
SMILESCC(C)(C)C1OC(=O)[C@](c2ccccc2)([C@H]2CCCC(F)(F)C2)O1
InChIInChI=1S/C19H24F2O3/c1-17(2,3)16-23-15(22)19(24-16,13-8-5-4-6-9-13)14-10-7-11-18(20,21)12-14/h4-6,8-9,14,16H,7,10-12H2,1-3H3/t14-,16?,19-/m0/s1
InChIKeyMAIINWRWXUEXMG-SXUUOERCSA-N
MW338.39 g/mol
LogP4.65
Rot. Bonds2

About (5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one

(5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one (PubChem CID 67537909) has the molecular formula C19H24F2O3 and a molecular weight of 338.39 g/mol. Its IUPAC name is (5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one
PubChem CID67537909
Molecular FormulaC19H24F2O3
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name(5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one
SMILESCC(C)(C)C1OC(=O)[C@](c2ccccc2)([C@H]2CCCC(F)(F)C2)O1
InChIInChI=1S/C19H24F2O3/c1-17(2,3)16-23-15(22)19(24-16,13-8-5-4-6-9-13)14-10-7-11-18(20,21)12-14/h4-6,8-9,14,16H,7,10-12H2,1-3H3/t14-,16?,19-/m0/s1
InChIKeyMAIINWRWXUEXMG-SXUUOERCSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one?
The IUPAC name of (5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one (CID 67537909) is (5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one?
The canonical SMILES for (5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one is CC(C)(C)C1OC(=O)[C@](c2ccccc2)([C@H]2CCCC(F)(F)C2)O1.
What is the InChIKey of (5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one?
The InChIKey is MAIINWRWXUEXMG-SXUUOERCSA-N. The full InChI is InChI=1S/C19H24F2O3/c1-17(2,3)16-23-15(22)19(24-16,13-8-5-4-6-9-13)14-10-7-11-18(20,21)12-14/h4-6,8-9,14,16H,7,10-12H2,1-3H3/t14-,16?,19-/m0/s1.
What are the key properties of (5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one?
(5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one has a molecular weight of 338.39 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-tert-butyl-5-[(1S)-3,3-difluorocyclohexyl]-5-phenyl-1,3-dioxolan-4-one is sourced from PubChem (CID 67537909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).