ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone

C10H19F3N2O2 — CID 168940340

IUPACethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCC.CNCC(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2.C2H6/c1-12-4-7(14)13-2-3-15-6(5-13)8(9,10)11;1-2/h6,12H,2-5H2,1H3;1-2H3
InChIKeyYRZGUFXNTCHTGQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.02
Rot. Bonds2

About ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone

ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone (PubChem CID 168940340) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Nameethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
PubChem CID168940340
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Nameethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCC.CNCC(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2.C2H6/c1-12-4-7(14)13-2-3-15-6(5-13)8(9,10)11;1-2/h6,12H,2-5H2,1H3;1-2H3
InChIKeyYRZGUFXNTCHTGQ-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone (CID 168940340) is ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone is CC.CNCC(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is YRZGUFXNTCHTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2.C2H6/c1-12-4-7(14)13-2-3-15-6(5-13)8(9,10)11;1-2/h6,12H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone has a molecular weight of 256.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 168940340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).