2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine

C13H16F3NO3 — CID 117470350

IUPAC2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine
SMILESCOc1cc(C2CNCCO2)c(OC)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-18-8-5-9(11-7-17-3-4-20-11)12(19-2)10(6-8)13(14,15)16/h5-6,11,17H,3-4,7H2,1-2H3
InChIKeyWSWTUMVUOONMTH-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.38
Rot. Bonds3

About 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine

2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine (PubChem CID 117470350) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine
PubChem CID117470350
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine
SMILESCOc1cc(C2CNCCO2)c(OC)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-18-8-5-9(11-7-17-3-4-20-11)12(19-2)10(6-8)13(14,15)16/h5-6,11,17H,3-4,7H2,1-2H3
InChIKeyWSWTUMVUOONMTH-UHFFFAOYSA-N
XLogP2.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-5-methoxy-3-methylphenyl)morpholine
CID 84790102
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
CID 117463646
2-[2-(difluoromethyl)-5-methoxyphenyl]morpholine
CID 117359395
2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
CID 117406688
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862
2-[7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]morpholine
CID 117488290
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-(3-bromo-2,4-dimethoxyphenyl)morpholine
CID 117486500

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine (CID 117470350) is 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine is COc1cc(C2CNCCO2)c(OC)c(C(F)(F)F)c1.
What is the InChIKey of 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine?
The InChIKey is WSWTUMVUOONMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-18-8-5-9(11-7-17-3-4-20-11)12(19-2)10(6-8)13(14,15)16/h5-6,11,17H,3-4,7H2,1-2H3.
What are the key properties of 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine?
2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine has a molecular weight of 291.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 117470350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).