2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one

C10H16F3NO2 — CID 177072398

IUPAC2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-9(2,3)8(15)14-4-5-16-7(6-14)10(11,12)13/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyHBBBZBSSITXKJN-ZETCQYMHSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds

About 2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one

2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one (PubChem CID 177072398) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one
PubChem CID177072398
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-9(2,3)8(15)14-4-5-16-7(6-14)10(11,12)13/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyHBBBZBSSITXKJN-ZETCQYMHSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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 2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one (CID 177072398) is 2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one is CC(C)(C)C(=O)N1CCO[C@H](C(F)(F)F)C1.
What is the InChIKey of 2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
The InChIKey is HBBBZBSSITXKJN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(2,3)8(15)14-4-5-16-7(6-14)10(11,12)13/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 177072398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).