tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate

C18H21F2NO6 — CID 58181523

IUPACtert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate
SMILESCC(=O)O[C@@H](C(=O)OC(C)(C)C)[C@H]1OCCN(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C18H21F2NO6/c1-10(22)26-15(17(24)27-18(2,3)4)14-16(23)21(5-6-25-14)13-8-11(19)7-12(20)9-13/h7-9,14-15H,5-6H2,1-4H3/t14-,15-/m1/s1
InChIKeyRBNLOALWONHRFJ-HUUCEWRRSA-N
MW385.36 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate

tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate (PubChem CID 58181523) has the molecular formula C18H21F2NO6 and a molecular weight of 385.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate
PubChem CID58181523
Molecular FormulaC18H21F2NO6
Molecular Weight385.36 g/mol
Exact Mass385.13
IUPAC Nametert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate
SMILESCC(=O)O[C@@H](C(=O)OC(C)(C)C)[C@H]1OCCN(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C18H21F2NO6/c1-10(22)26-15(17(24)27-18(2,3)4)14-16(23)21(5-6-25-14)13-8-11(19)7-12(20)9-13/h7-9,14-15H,5-6H2,1-4H3/t14-,15-/m1/s1
InChIKeyRBNLOALWONHRFJ-HUUCEWRRSA-N
XLogP1.97
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate (CID 58181523) is tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate is CC(=O)O[C@@H](C(=O)OC(C)(C)C)[C@H]1OCCN(c2cc(F)cc(F)c2)C1=O.
What is the InChIKey of tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate?
The InChIKey is RBNLOALWONHRFJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H21F2NO6/c1-10(22)26-15(17(24)27-18(2,3)4)14-16(23)21(5-6-25-14)13-8-11(19)7-12(20)9-13/h7-9,14-15H,5-6H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate?
tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate has a molecular weight of 385.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]acetate is sourced from PubChem (CID 58181523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).