4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one

C8H12F3NO2 — CID 171845926

IUPAC4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one
SMILESCC(C)N1CC(C(F)(F)F)OCC1=O
InChIInChI=1S/C8H12F3NO2/c1-5(2)12-3-6(8(9,10)11)14-4-7(12)13/h5-6H,3-4H2,1-2H3
InChIKeyIOMACAUYAQBYNH-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.18
Rot. Bonds1

About 4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one

4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one (PubChem CID 171845926) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one
PubChem CID171845926
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one
SMILESCC(C)N1CC(C(F)(F)F)OCC1=O
InChIInChI=1S/C8H12F3NO2/c1-5(2)12-3-6(8(9,10)11)14-4-7(12)13/h5-6H,3-4H2,1-2H3
InChIKeyIOMACAUYAQBYNH-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one?
The IUPAC name of 4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one (CID 171845926) is 4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for 4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for 4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one is CC(C)N1CC(C(F)(F)F)OCC1=O.
What is the InChIKey of 4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one?
The InChIKey is IOMACAUYAQBYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5(2)12-3-6(8(9,10)11)14-4-7(12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one?
4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one has a molecular weight of 211.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 171845926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).