4-methyl-6-(trifluoromethyl)morpholin-3-one

C6H8F3NO2 — CID 154313419

IUPAC4-methyl-6-(trifluoromethyl)morpholin-3-one
SMILESCN1CC(C(F)(F)F)OCC1=O
InChIInChI=1S/C6H8F3NO2/c1-10-2-4(6(7,8)9)12-3-5(10)11/h4H,2-3H2,1H3
InChIKeyGRLCDWALJOUPIN-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.41
Rot. Bonds

About 4-methyl-6-(trifluoromethyl)morpholin-3-one

4-methyl-6-(trifluoromethyl)morpholin-3-one (PubChem CID 154313419) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)morpholin-3-one
PubChem CID154313419
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name4-methyl-6-(trifluoromethyl)morpholin-3-one
SMILESCN1CC(C(F)(F)F)OCC1=O
InChIInChI=1S/C6H8F3NO2/c1-10-2-4(6(7,8)9)12-3-5(10)11/h4H,2-3H2,1H3
InChIKeyGRLCDWALJOUPIN-UHFFFAOYSA-N
XLogP0.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)morpholin-3-one?
The IUPAC name of 4-methyl-6-(trifluoromethyl)morpholin-3-one (CID 154313419) is 4-methyl-6-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)morpholin-3-one is CN1CC(C(F)(F)F)OCC1=O.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)morpholin-3-one?
The InChIKey is GRLCDWALJOUPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-10-2-4(6(7,8)9)12-3-5(10)11/h4H,2-3H2,1H3.
What are the key properties of 4-methyl-6-(trifluoromethyl)morpholin-3-one?
4-methyl-6-(trifluoromethyl)morpholin-3-one has a molecular weight of 183.13 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 154313419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).