3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine

C13H16F3NO2 — CID 104704065

IUPAC3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
SMILESFC(F)(F)Oc1ccc(CCC2COCCN2)cc1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)19-12-5-2-10(3-6-12)1-4-11-9-18-8-7-17-11/h2-3,5-6,11,17H,1,4,7-9H2
InChIKeyAHAOLSHKKPGUEN-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.51
Rot. Bonds4

About 3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine

3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine (PubChem CID 104704065) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
PubChem CID104704065
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
SMILESFC(F)(F)Oc1ccc(CCC2COCCN2)cc1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)19-12-5-2-10(3-6-12)1-4-11-9-18-8-7-17-11/h2-3,5-6,11,17H,1,4,7-9H2
InChIKeyAHAOLSHKKPGUEN-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
3-(2-phenylethyl)morpholine
CID 54013840
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119721497
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
CID 154810211
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
3-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]morpholine
CID 104704054
3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
CID 104704090
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
N-[(4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238941

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine?
The IUPAC name of 3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine (CID 104704065) is 3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine.
What is the SMILES notation for 3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine?
The canonical SMILES for 3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine is FC(F)(F)Oc1ccc(CCC2COCCN2)cc1.
What is the InChIKey of 3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine?
The InChIKey is AHAOLSHKKPGUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)19-12-5-2-10(3-6-12)1-4-11-9-18-8-7-17-11/h2-3,5-6,11,17H,1,4,7-9H2.
What are the key properties of 3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine?
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine has a molecular weight of 275.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine is sourced from PubChem (CID 104704065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).