(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine

C13H16F3NO2 — CID 11565325

IUPAC(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCOc1ccc(C[C@@H]2CNCCO2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-18-12-3-2-9(7-11(12)13(14,15)16)6-10-8-17-4-5-19-10/h2-3,7,10,17H,4-6,8H2,1H3/t10-/m1/s1
InChIKeyLSFDCOWGJSONOG-SNVBAGLBSA-N
MW275.27 g/mol
LogP2.24
Rot. Bonds3

About (2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine

(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 11565325) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is (2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID11565325
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCOc1ccc(C[C@@H]2CNCCO2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-18-12-3-2-9(7-11(12)13(14,15)16)6-10-8-17-4-5-19-10/h2-3,7,10,17H,4-6,8H2,1H3/t10-/m1/s1
InChIKeyLSFDCOWGJSONOG-SNVBAGLBSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-oxazepane
CID 90877171
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine
CID 67073483
2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine
CID 142864910
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
CID 11507301
4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride
CID 70130204
2-benzylmorpholine;2-(trifluoromethyl)benzenethiol
CID 142864888
2-methoxy-3-(morpholin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonic acid
CID 142763021
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
2-[(2,5-difluoro-4-methoxyphenyl)methyl]morpholine
CID 67073211
2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol
CID 88670250

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of (2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine (CID 11565325) is (2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for (2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for (2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine is COc1ccc(C[C@@H]2CNCCO2)cc1C(F)(F)F.
What is the InChIKey of (2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is LSFDCOWGJSONOG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-18-12-3-2-9(7-11(12)13(14,15)16)6-10-8-17-4-5-19-10/h2-3,7,10,17H,4-6,8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine?
(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 275.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 11565325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).