2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid

C10H18F3NO4S — CID 83068548

IUPAC2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
SMILESCCC(CC)(NS(=O)(=O)CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO4S/c1-3-9(4-2,8(15)16)14-19(17,18)7-5-6-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16)
InChIKeyUTMJRKALBUXDHB-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.89
Rot. Bonds8

About 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid

2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid (PubChem CID 83068548) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
PubChem CID83068548
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Name2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
SMILESCCC(CC)(NS(=O)(=O)CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO4S/c1-3-9(4-2,8(15)16)14-19(17,18)7-5-6-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16)
InChIKeyUTMJRKALBUXDHB-UHFFFAOYSA-N
XLogP1.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Aminotetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide trifluoroacetate
CID 69436993
2-(Tert-butylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792167
3,3,3-Trifluoro-2-methyl-2-(propan-2-ylsulfonylamino)propanoic acid
CID 79792170
2-(2,2-Dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792275
2-(Difluoromethylsulfonylamino)-2-methylbutanoic acid
CID 79792378
2-(Cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792486
2-(Cyclohexylmethylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792580
2-(Ethylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792582
3,3,3-Trifluoro-2-methyl-2-(3-methylbutylsulfonylamino)propanoic acid
CID 79792584
3,3,3-Trifluoro-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-2-methylpropanoic acid
CID 79792680
3,3,3-Trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid
CID 79792998
2-(Butylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793102

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid (CID 83068548) is 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid is CCC(CC)(NS(=O)(=O)CCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid?
The InChIKey is UTMJRKALBUXDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-3-9(4-2,8(15)16)14-19(17,18)7-5-6-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid?
2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid has a molecular weight of 305.32 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid is sourced from PubChem (CID 83068548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).