4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one

C12H12F3NO2 — CID 10634995

IUPAC4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
SMILESCN1CCOC(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H12F3NO2/c1-16-5-6-18-10(11(16)17)8-3-2-4-9(7-8)12(13,14)15/h2-4,7,10H,5-6H2,1H3
InChIKeyRWDYWMYZNIJSBR-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.24
Rot. Bonds1

About 4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one

4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one (PubChem CID 10634995) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
PubChem CID10634995
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
SMILESCN1CCOC(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H12F3NO2/c1-16-5-6-18-10(11(16)17)8-3-2-4-9(7-8)12(13,14)15/h2-4,7,10H,5-6H2,1H3
InChIKeyRWDYWMYZNIJSBR-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one?
The IUPAC name of 4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one (CID 10634995) is 4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one.
What is the SMILES notation for 4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one?
The canonical SMILES for 4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one is CN1CCOC(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one?
The InChIKey is RWDYWMYZNIJSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-16-5-6-18-10(11(16)17)8-3-2-4-9(7-8)12(13,14)15/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one?
4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one has a molecular weight of 259.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one is sourced from PubChem (CID 10634995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).