6-[4-(trifluoromethyl)phenyl]morpholin-3-one

C11H10F3NO2 — CID 23512

IUPAC6-[4-(trifluoromethyl)phenyl]morpholin-3-one
SMILESO=C1COC(c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9-5-15-10(16)6-17-9/h1-4,9H,5-6H2,(H,15,16)
InChIKeyUODXSCCNACAPCE-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.89
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]morpholin-3-one

6-[4-(trifluoromethyl)phenyl]morpholin-3-one (PubChem CID 23512) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]morpholin-3-one.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]morpholin-3-one
PubChem CID23512
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name6-[4-(trifluoromethyl)phenyl]morpholin-3-one
SMILESO=C1COC(c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9-5-15-10(16)6-17-9/h1-4,9H,5-6H2,(H,15,16)
InChIKeyUODXSCCNACAPCE-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]morpholin-3-one?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]morpholin-3-one (CID 23512) is 6-[4-(trifluoromethyl)phenyl]morpholin-3-one.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]morpholin-3-one?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]morpholin-3-one is O=C1COC(c2ccc(C(F)(F)F)cc2)CN1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]morpholin-3-one?
The InChIKey is UODXSCCNACAPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9-5-15-10(16)6-17-9/h1-4,9H,5-6H2,(H,15,16).
What are the key properties of 6-[4-(trifluoromethyl)phenyl]morpholin-3-one?
6-[4-(trifluoromethyl)phenyl]morpholin-3-one has a molecular weight of 245.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]morpholin-3-one is sourced from PubChem (CID 23512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).