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

C8H13F2NO5S — CID 79770881

IUPACmethyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)C(F)F)CCO1
InChIInChI=1S/C8H13F2NO5S/c1-15-7(12)4-6-5-11(2-3-16-6)17(13,14)8(9)10/h6,8H,2-5H2,1H3
InChIKeyMVEWZAGYCVWMHY-UHFFFAOYSA-N
MW273.26 g/mol
LogP-0.20
Rot. Bonds4

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

methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate (PubChem CID 79770881) has the molecular formula C8H13F2NO5S and a molecular weight of 273.26 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate
PubChem CID79770881
Molecular FormulaC8H13F2NO5S
Molecular Weight273.26 g/mol
Exact Mass273.05
IUPAC Namemethyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)C(F)F)CCO1
InChIInChI=1S/C8H13F2NO5S/c1-15-7(12)4-6-5-11(2-3-16-6)17(13,14)8(9)10/h6,8H,2-5H2,1H3
InChIKeyMVEWZAGYCVWMHY-UHFFFAOYSA-N
XLogP-0.20
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate (CID 79770881) is methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(S(=O)(=O)C(F)F)CCO1.
What is the InChIKey of methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate?
The InChIKey is MVEWZAGYCVWMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO5S/c1-15-7(12)4-6-5-11(2-3-16-6)17(13,14)8(9)10/h6,8H,2-5H2,1H3.
What are the key properties of methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate?
methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate has a molecular weight of 273.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethylsulfonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79770881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).