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

C10H17F2NO2 — CID 123225313

IUPAC2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one
SMILESCC(C)C1NC(=O)C(F)(F)OC1C(C)C
InChIInChI=1S/C10H17F2NO2/c1-5(2)7-8(6(3)4)15-10(11,12)9(14)13-7/h5-8H,1-4H3,(H,13,14)
InChIKeyPTGWYTLIVFWGOD-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.77
Rot. Bonds2

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

2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one (PubChem CID 123225313) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one.

Molecular Properties

Compound Name2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one
PubChem CID123225313
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one
SMILESCC(C)C1NC(=O)C(F)(F)OC1C(C)C
InChIInChI=1S/C10H17F2NO2/c1-5(2)7-8(6(3)4)15-10(11,12)9(14)13-7/h5-8H,1-4H3,(H,13,14)
InChIKeyPTGWYTLIVFWGOD-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one?
The IUPAC name of 2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one (CID 123225313) is 2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one.
What is the SMILES notation for 2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one?
The canonical SMILES for 2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one is CC(C)C1NC(=O)C(F)(F)OC1C(C)C.
What is the InChIKey of 2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one?
The InChIKey is PTGWYTLIVFWGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-5(2)7-8(6(3)4)15-10(11,12)9(14)13-7/h5-8H,1-4H3,(H,13,14).
What are the key properties of 2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one?
2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one has a molecular weight of 221.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5,6-di(propan-2-yl)morpholin-3-one is sourced from PubChem (CID 123225313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).