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

C13H16F3NO — CID 58689708

IUPAC(2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCc1ccc(C[C@@H]2CNCCO2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-9-2-3-10(7-12(9)13(14,15)16)6-11-8-17-4-5-18-11/h2-3,7,11,17H,4-6,8H2,1H3/t11-/m1/s1
InChIKeyZFFPBWASYVURFS-LLVKDONJSA-N
MW259.27 g/mol
LogP2.54
Rot. Bonds2

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

(2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 58689708) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is (2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID58689708
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name(2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCc1ccc(C[C@@H]2CNCCO2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-9-2-3-10(7-12(9)13(14,15)16)6-11-8-17-4-5-18-11/h2-3,7,11,17H,4-6,8H2,1H3/t11-/m1/s1
InChIKeyZFFPBWASYVURFS-LLVKDONJSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Flumexadol
CID 65774
Flumexadol HCl
CID 208046
2-Benzylmorpholine
CID 125510
2-[4-(Trifluoromethyl)phenyl]morpholine
CID 3756313
(2S)-2-benzylmorpholine
CID 22868801
Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-10-methyl-, (E)-
CID 3064621
2-(2,4-Dimethylphenyl)morpholine
CID 43169334
5,5-Dimethyl-2-(3-(trifluoromethyl)phenyl)morpholine
CID 43366936
(2R)-2-benzylmorpholine hydrochloride
CID 131872127
(S)-2-Benzylmorpholine hydrochloride
CID 166597432
(R)-2-benzylmorpholine
CID 10397341
3-[[4-(Trifluoromethyl)phenyl]methoxy]-piperidine
CID 46743823

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of (2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine (CID 58689708) is (2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for (2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for (2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine is Cc1ccc(C[C@@H]2CNCCO2)cc1C(F)(F)F.
What is the InChIKey of (2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is ZFFPBWASYVURFS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9-2-3-10(7-12(9)13(14,15)16)6-11-8-17-4-5-18-11/h2-3,7,11,17H,4-6,8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine?
(2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 259.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 58689708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).