(2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate

C7H10F3NO3 — CID 68841732

IUPAC(2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate
SMILESCC1CN(OC(=O)C(F)(F)F)CCO1
InChIInChI=1S/C7H10F3NO3/c1-5-4-11(2-3-13-5)14-6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyYTUOFSRDOUIJDF-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.73
Rot. Bonds1

About (2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate

(2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate (PubChem CID 68841732) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is (2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate
PubChem CID68841732
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name(2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate
SMILESCC1CN(OC(=O)C(F)(F)F)CCO1
InChIInChI=1S/C7H10F3NO3/c1-5-4-11(2-3-13-5)14-6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyYTUOFSRDOUIJDF-UHFFFAOYSA-N
XLogP0.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azane;(2-methylmorpholin-4-yl) propanoate
CID 174846679
2-methylmorpholine-4-carboperoxoic acid
CID 175134730
[4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68877986
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
CID 28880549
[4-bromo-2-(trifluoromethoxy)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647360
2,4-dimethylmorpholine;methanol
CID 156729518
[4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 170306056
[3-(cyclopropylmethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 146272877
2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid
CID 82238422
[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174785900

Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate (CID 68841732) is (2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate is CC1CN(OC(=O)C(F)(F)F)CCO1.
What is the InChIKey of (2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate?
The InChIKey is YTUOFSRDOUIJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-5-4-11(2-3-13-5)14-6(12)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of (2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate?
(2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate has a molecular weight of 213.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 68841732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).