1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone

C7H10F3NO2 — CID 170011529

IUPAC1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c1-5(12)11-2-3-13-6(4-11)7(8,9)10/h6H,2-4H2,1H3/t6-/m0/s1
InChIKeyAYUZGDTVYXDJFV-LURJTMIESA-N
MW197.16 g/mol
LogP0.80
Rot. Bonds

About 1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone

1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone (PubChem CID 170011529) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
PubChem CID170011529
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c1-5(12)11-2-3-13-6(4-11)7(8,9)10/h6H,2-4H2,1H3/t6-/m0/s1
InChIKeyAYUZGDTVYXDJFV-LURJTMIESA-N
XLogP0.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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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Related Compounds

2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 168940341
1-(4-acetylmorpholin-2-yl)ethanone
CID 59110253
[(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone
CID 176759270
4-acetylmorpholine-2-carboxylic acid
CID 20598078
2-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95724984
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95509697
anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95539252
2-tert-butylmorpholine-4-carbonyl chloride
CID 165491195
1-[(2S)-2-ethynylmorpholin-4-yl]ethanone
CID 156635882
[2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 56865765
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone (CID 170011529) is 1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone is CC(=O)N1CCO[C@H](C(F)(F)F)C1.
What is the InChIKey of 1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is AYUZGDTVYXDJFV-LURJTMIESA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-5(12)11-2-3-13-6(4-11)7(8,9)10/h6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone has a molecular weight of 197.16 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 170011529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).