(5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one

C7H10F3NO2 — CID 178143261

IUPAC(5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one
SMILESCC1OC[C@H](CC(F)(F)F)NC1=O
InChIInChI=1S/C7H10F3NO2/c1-4-6(12)11-5(3-13-4)2-7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)/t4?,5-/m0/s1
InChIKeyHLLNXXZCAMVCEU-AKGZTFGVSA-N
MW197.16 g/mol
LogP0.84
Rot. Bonds1

About (5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one

(5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one (PubChem CID 178143261) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one.

Molecular Properties

Compound Name(5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one
PubChem CID178143261
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one
SMILESCC1OC[C@H](CC(F)(F)F)NC1=O
InChIInChI=1S/C7H10F3NO2/c1-4-6(12)11-5(3-13-4)2-7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)/t4?,5-/m0/s1
InChIKeyHLLNXXZCAMVCEU-AKGZTFGVSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one?
The IUPAC name of (5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one (CID 178143261) is (5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one.
What is the SMILES notation for (5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one?
The canonical SMILES for (5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one is CC1OC[C@H](CC(F)(F)F)NC1=O.
What is the InChIKey of (5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one?
The InChIKey is HLLNXXZCAMVCEU-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-4-6(12)11-5(3-13-4)2-7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)/t4?,5-/m0/s1.
What are the key properties of (5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one?
(5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one has a molecular weight of 197.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-(2,2,2-trifluoroethyl)morpholin-3-one is sourced from PubChem (CID 178143261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).