3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one

C7H10F3NO2 — CID 15366087

IUPAC3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one
SMILESO=C(CC(F)(F)F)N1CCOCC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-6(12)11-1-3-13-4-2-11/h1-5H2
InChIKeyDBUGODBUGZIXNB-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.80
Rot. Bonds1

About 3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one

3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one (PubChem CID 15366087) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one
PubChem CID15366087
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one
SMILESO=C(CC(F)(F)F)N1CCOCC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-6(12)11-1-3-13-4-2-11/h1-5H2
InChIKeyDBUGODBUGZIXNB-UHFFFAOYSA-N
XLogP0.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one (CID 15366087) is 3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one is O=C(CC(F)(F)F)N1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one?
The InChIKey is DBUGODBUGZIXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5-6(12)11-1-3-13-4-2-11/h1-5H2.
What are the key properties of 3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one?
3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one has a molecular weight of 197.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 15366087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).