3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one

C10H16F3NO2 — CID 155179526

IUPAC3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7(2)5-9(15)14-3-4-16-6-8(14)10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyDSZDGMQLLXIGFC-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds2

About 3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one

3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one (PubChem CID 155179526) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one
PubChem CID155179526
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7(2)5-9(15)14-3-4-16-6-8(14)10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyDSZDGMQLLXIGFC-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one (CID 155179526) is 3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one is CC(C)CC(=O)N1CCOCC1C(F)(F)F.
What is the InChIKey of 3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one?
The InChIKey is DSZDGMQLLXIGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7(2)5-9(15)14-3-4-16-6-8(14)10(11,12)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one?
3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 155179526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).