methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate

C8H12F3NO3 — CID 129451695

IUPACmethyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate
SMILESCOC(=O)C[C@]1(C(F)(F)F)CNCCO1
InChIInChI=1S/C8H12F3NO3/c1-14-6(13)4-7(8(9,10)11)5-12-2-3-15-7/h12H,2-5H2,1H3/t7-/m1/s1
InChIKeyNYFLLSKLZGQGGH-SSDOTTSWSA-N
MW227.18 g/mol
LogP0.47
Rot. Bonds2

About methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate

methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate (PubChem CID 129451695) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate
PubChem CID129451695
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Namemethyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate
SMILESCOC(=O)C[C@]1(C(F)(F)F)CNCCO1
InChIInChI=1S/C8H12F3NO3/c1-14-6(13)4-7(8(9,10)11)5-12-2-3-15-7/h12H,2-5H2,1H3/t7-/m1/s1
InChIKeyNYFLLSKLZGQGGH-SSDOTTSWSA-N
XLogP0.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-2-(trifluoromethyl)morpholine
CID 174533843
methyl 2-(3-aminopyrrolidin-3-yl)acetate
CID 115012363
(2R)-2-methyl-2-(trifluoromethyl)morpholine
CID 124552386
methyl 2-(3-ethylpyrrolidin-3-yl)acetate
CID 165479057
2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid
CID 74432253
1-(2-methoxymorpholin-2-yl)propan-1-one
CID 174878714
methyl 2-(2-methoxyoxan-2-yl)acetate
CID 10965266
[(2R)-2-methylmorpholin-2-yl]methanol
CID 162361659
(2-methylmorpholin-2-yl)methanol
CID 135262535
acetic acid;2,2-diethylmorpholine
CID 70348686
methyl 2-[(1S,5R)-6-fluoro-3-azabicyclo[3.1.0]hexan-6-yl]acetate
CID 175936340
methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate
CID 105442614

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate (CID 129451695) is methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate is COC(=O)C[C@]1(C(F)(F)F)CNCCO1.
What is the InChIKey of methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate?
The InChIKey is NYFLLSKLZGQGGH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-14-6(13)4-7(8(9,10)11)5-12-2-3-15-7/h12H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate?
methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate has a molecular weight of 227.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate is sourced from PubChem (CID 129451695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).