ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate

C10H17F4NO4S — CID 89229290

IUPACethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)CCC(C)(F)C(F)(F)F
InChIInChI=1S/C10H17F4NO4S/c1-4-19-8(16)7-15(3)20(17,18)6-5-9(2,11)10(12,13)14/h4-7H2,1-3H3
InChIKeyFYMGCXKOSPXSFP-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.49
Rot. Bonds7

About ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate

ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate (PubChem CID 89229290) has the molecular formula C10H17F4NO4S and a molecular weight of 323.31 g/mol. Its IUPAC name is ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate
PubChem CID89229290
Molecular FormulaC10H17F4NO4S
Molecular Weight323.31 g/mol
Exact Mass323.08
IUPAC Nameethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)CCC(C)(F)C(F)(F)F
InChIInChI=1S/C10H17F4NO4S/c1-4-19-8(16)7-15(3)20(17,18)6-5-9(2,11)10(12,13)14/h4-7H2,1-3H3
InChIKeyFYMGCXKOSPXSFP-UHFFFAOYSA-N
XLogP1.49
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate (CID 89229290) is ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate is CCOC(=O)CN(C)S(=O)(=O)CCC(C)(F)C(F)(F)F.
What is the InChIKey of ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate?
The InChIKey is FYMGCXKOSPXSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO4S/c1-4-19-8(16)7-15(3)20(17,18)6-5-9(2,11)10(12,13)14/h4-7H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate?
ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate has a molecular weight of 323.31 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetate is sourced from PubChem (CID 89229290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).