methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate

C8H12F3NO5S — CID 113330757

IUPACmethyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C8H12F3NO5S/c1-16-7(13)4-6-5-12(2-3-17-6)18(14,15)8(9,10)11/h6H,2-5H2,1H3
InChIKeyLGNDEVJKKMFGGY-UHFFFAOYSA-N
MW291.25 g/mol
LogP0.10
Rot. Bonds3

About methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate

methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate (PubChem CID 113330757) has the molecular formula C8H12F3NO5S and a molecular weight of 291.25 g/mol. Its IUPAC name is methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate
PubChem CID113330757
Molecular FormulaC8H12F3NO5S
Molecular Weight291.25 g/mol
Exact Mass291.04
IUPAC Namemethyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C8H12F3NO5S/c1-16-7(13)4-6-5-12(2-3-17-6)18(14,15)8(9,10)11/h6H,2-5H2,1H3
InChIKeyLGNDEVJKKMFGGY-UHFFFAOYSA-N
XLogP0.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate (CID 113330757) is methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(S(=O)(=O)C(F)(F)F)CCO1.
What is the InChIKey of methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate?
The InChIKey is LGNDEVJKKMFGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO5S/c1-16-7(13)4-6-5-12(2-3-17-6)18(14,15)8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate?
methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate has a molecular weight of 291.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(trifluoromethylsulfonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 113330757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).