1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one

C10H16F3NO3 — CID 78873758

IUPAC1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)N1CCOCC1C
InChIInChI=1S/C10H16F3NO3/c1-7-5-16-4-3-14(7)9(15)8(2)17-6-10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyDJFCMNWZYUNUOE-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.20
Rot. Bonds3

About 1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one

1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 78873758) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID78873758
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)N1CCOCC1C
InChIInChI=1S/C10H16F3NO3/c1-7-5-16-4-3-14(7)9(15)8(2)17-6-10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyDJFCMNWZYUNUOE-UHFFFAOYSA-N
XLogP1.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one (CID 78873758) is 1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one is CC(OCC(F)(F)F)C(=O)N1CCOCC1C.
What is the InChIKey of 1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is DJFCMNWZYUNUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7-5-16-4-3-14(7)9(15)8(2)17-6-10(11,12)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 255.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 78873758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).