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

C10H17F2NO2 — CID 170011841

IUPAC6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one
SMILESCC(C)C1OC(F)(F)C(C(C)C)NC1=O
InChIInChI=1S/C10H17F2NO2/c1-5(2)7-9(14)13-8(6(3)4)10(11,12)15-7/h5-8H,1-4H3,(H,13,14)
InChIKeyHRFNKIXHSHZEDT-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.77
Rot. Bonds2

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

6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one (PubChem CID 170011841) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one.

Molecular Properties

Compound Name6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one
PubChem CID170011841
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one
SMILESCC(C)C1OC(F)(F)C(C(C)C)NC1=O
InChIInChI=1S/C10H17F2NO2/c1-5(2)7-9(14)13-8(6(3)4)10(11,12)15-7/h5-8H,1-4H3,(H,13,14)
InChIKeyHRFNKIXHSHZEDT-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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Related Compounds

Talaromorpholinone
CID 170989504
2,2-Difluoro-5,6-di(propan-2-yl)morpholin-3-one
CID 123225313
(5R)-2,2-difluoro-5-methyl-6-propan-2-ylmorpholin-3-one
CID 145652599
(6S)-5,6-ditert-butyl-2,2-difluoromorpholin-3-one
CID 146575535
5-(Difluoromethyl)-2,2-dimethylmorpholin-3-one
CID 150081383
6-Fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one
CID 170015744
6,6-Difluoro-2,5-dimethylmorpholin-3-one
CID 170015746
[1-Oxo-1-(1-piperidin-4-ylpropylamino)butan-2-yl] 2,2,2-trifluoroacetate
CID 175198476
(5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one
CID 178143261
Ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one
CID 178160556
(3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione
CID 91141211
(2R,5R)-5-(2-methylpropyl)-2-propan-2-ylmorpholin-3-one
CID 134837663

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one?
The IUPAC name of 6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one (CID 170011841) is 6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one.
What is the SMILES notation for 6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one?
The canonical SMILES for 6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one is CC(C)C1OC(F)(F)C(C(C)C)NC1=O.
What is the InChIKey of 6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one?
The InChIKey is HRFNKIXHSHZEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-5(2)7-9(14)13-8(6(3)4)10(11,12)15-7/h5-8H,1-4H3,(H,13,14).
What are the key properties of 6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one?
6,6-difluoro-2,5-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 6,6-difluoro-2,5-di(propan-2-yl)morpholin-3-one is sourced from PubChem (CID 170011841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).