2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid

C7H12F3NO4S — CID 79257910

IUPAC2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)S(=O)(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-5(2)16(14,15)11(3-6(12)13)4-7(8,9)10/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyDMKFRNLXJOWOIZ-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.67
Rot. Bonds5

About 2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257910) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257910
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)S(=O)(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-5(2)16(14,15)11(3-6(12)13)4-7(8,9)10/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyDMKFRNLXJOWOIZ-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine
CID 18134
Glycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]-
CID 105441
N-ethyl-N-((undecafluoropentyl)sulphonyl)glycine
CID 105443
Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)-
CID 105445
Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)-
CID 105456
EtFDSAA
CID 22286930
N-Methyl-N-((perfluorobutyl)sulfonyl)glycine
CID 22286935
{Ethyl[(perfluorononyl)sulfonyl]amino}acetic acid
CID 100988824
N-Methyl (perfluoropentyl)sulfonamidoacetic acid
CID 139596548
[(Perfluoropropane-1-sulfonyl)(methyl)amino]acetic acid
CID 139596858
N-Ethyl-N-[(perfluoroethyl)sulfonyl]glycine
CID 139597284
{Ethyl[(perfluoropropyl)sulfonyl]amino}acetic acid
CID 139597823

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257910) is 2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)S(=O)(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DMKFRNLXJOWOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-5(2)16(14,15)11(3-6(12)13)4-7(8,9)10/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 263.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).