(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one

C15H19F2NO2 — CID 58432800

IUPAC(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1C(=O)C(C)(C)OC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2NO2/c1-9(2)18-13(8-20-15(3,4)14(18)19)10-5-11(16)7-12(17)6-10/h5-7,9,13H,8H2,1-4H3/t13-/m0/s1
InChIKeyAJXWSXDDUOVLNC-ZDUSSCGKSA-N
MW283.32 g/mol
LogP3.05
Rot. Bonds2

About (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one

(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one (PubChem CID 58432800) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one
PubChem CID58432800
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1C(=O)C(C)(C)OC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2NO2/c1-9(2)18-13(8-20-15(3,4)14(18)19)10-5-11(16)7-12(17)6-10/h5-7,9,13H,8H2,1-4H3/t13-/m0/s1
InChIKeyAJXWSXDDUOVLNC-ZDUSSCGKSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one?
The IUPAC name of (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one (CID 58432800) is (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one.
What is the SMILES notation for (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one?
The canonical SMILES for (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one is CC(C)N1C(=O)C(C)(C)OC[C@H]1c1cc(F)cc(F)c1.
What is the InChIKey of (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one?
The InChIKey is AJXWSXDDUOVLNC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-9(2)18-13(8-20-15(3,4)14(18)19)10-5-11(16)7-12(17)6-10/h5-7,9,13H,8H2,1-4H3/t13-/m0/s1.
What are the key properties of (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one?
(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one has a molecular weight of 283.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-4-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 58432800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).