(2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one

C9H14F3NO3 — CID 51943630

IUPAC(2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESC[C@H](OCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H14F3NO3/c1-7(16-6-9(10,11)12)8(14)13-2-4-15-5-3-13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyNXNUUINNGFEFLS-ZETCQYMHSA-N
MW241.21 g/mol
LogP0.81
Rot. Bonds3

About (2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one

(2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 51943630) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID51943630
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name(2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESC[C@H](OCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H14F3NO3/c1-7(16-6-9(10,11)12)8(14)13-2-4-15-5-3-13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyNXNUUINNGFEFLS-ZETCQYMHSA-N
XLogP0.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one (CID 51943630) is (2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one is C[C@H](OCC(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is NXNUUINNGFEFLS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-7(16-6-9(10,11)12)8(14)13-2-4-15-5-3-13/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one?
(2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 241.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 51943630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).