3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine

C13H16F3NO — CID 104704067

IUPAC3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine
SMILESFC(F)(F)c1ccccc1CCC1COCCN1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-10(12)5-6-11-9-18-8-7-17-11/h1-4,11,17H,5-9H2
InChIKeyFNBQAJURYAVYOD-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.63
Rot. Bonds3

About 3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine

3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine (PubChem CID 104704067) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine
PubChem CID104704067
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine
SMILESFC(F)(F)c1ccccc1CCC1COCCN1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-10(12)5-6-11-9-18-8-7-17-11/h1-4,11,17H,5-9H2
InChIKeyFNBQAJURYAVYOD-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine?
The IUPAC name of 3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine (CID 104704067) is 3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine.
What is the SMILES notation for 3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine?
The canonical SMILES for 3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine is FC(F)(F)c1ccccc1CCC1COCCN1.
What is the InChIKey of 3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine?
The InChIKey is FNBQAJURYAVYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-10(12)5-6-11-9-18-8-7-17-11/h1-4,11,17H,5-9H2.
What are the key properties of 3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine?
3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine has a molecular weight of 259.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine is sourced from PubChem (CID 104704067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).