2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one

C11H19F2NO2 — CID 123548605

IUPAC2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one
SMILESCC(C)C1OC(F)(F)C(=O)N(C)C1C(C)C
InChIInChI=1S/C11H19F2NO2/c1-6(2)8-9(7(3)4)16-11(12,13)10(15)14(8)5/h6-9H,1-5H3
InChIKeyFGDLYHYXHHCQPR-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.12
Rot. Bonds2

About 2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one

2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one (PubChem CID 123548605) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one.

Molecular Properties

Compound Name2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one
PubChem CID123548605
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one
SMILESCC(C)C1OC(F)(F)C(=O)N(C)C1C(C)C
InChIInChI=1S/C11H19F2NO2/c1-6(2)8-9(7(3)4)16-11(12,13)10(15)14(8)5/h6-9H,1-5H3
InChIKeyFGDLYHYXHHCQPR-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one?
The IUPAC name of 2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one (CID 123548605) is 2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one.
What is the SMILES notation for 2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one?
The canonical SMILES for 2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one is CC(C)C1OC(F)(F)C(=O)N(C)C1C(C)C.
What is the InChIKey of 2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one?
The InChIKey is FGDLYHYXHHCQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-6(2)8-9(7(3)4)16-11(12,13)10(15)14(8)5/h6-9H,1-5H3.
What are the key properties of 2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one?
2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one has a molecular weight of 235.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one is sourced from PubChem (CID 123548605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).