4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid

C7H10F3NO5S — CID 66237584

IUPAC4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid
SMILESCN(C1COCC1C(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5S/c1-11(17(14,15)7(8,9)10)5-3-16-2-4(5)6(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyBPESDDJBXKVPCQ-UHFFFAOYSA-N
MW277.22 g/mol
LogP-0.13
Rot. Bonds3

About 4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid

4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66237584) has the molecular formula C7H10F3NO5S and a molecular weight of 277.22 g/mol. Its IUPAC name is 4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid
PubChem CID66237584
Molecular FormulaC7H10F3NO5S
Molecular Weight277.22 g/mol
Exact Mass277.02
IUPAC Name4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid
SMILESCN(C1COCC1C(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5S/c1-11(17(14,15)7(8,9)10)5-3-16-2-4(5)6(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyBPESDDJBXKVPCQ-UHFFFAOYSA-N
XLogP-0.13
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid (CID 66237584) is 4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid is CN(C1COCC1C(=O)O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is BPESDDJBXKVPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO5S/c1-11(17(14,15)7(8,9)10)5-3-16-2-4(5)6(12)13/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid?
4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 277.22 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).