2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid

C11H20F3NO3 — CID 65265184

IUPAC2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid
SMILESCC(C)(NCCOCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H20F3NO3/c1-9(2,8(16)17)10(3,4)15-5-6-18-7-11(12,13)14/h15H,5-7H2,1-4H3,(H,16,17)
InChIKeySFINPZNRROTWRC-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.04
Rot. Bonds7

About 2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid

2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid (PubChem CID 65265184) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid
PubChem CID65265184
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid
SMILESCC(C)(NCCOCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H20F3NO3/c1-9(2,8(16)17)10(3,4)15-5-6-18-7-11(12,13)14/h15H,5-7H2,1-4H3,(H,16,17)
InChIKeySFINPZNRROTWRC-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,2-Trifluoroethylamino)ethyl 2,2-dimethylbutanoate
CID 89393884
2-(2,2,3,3,3-Pentafluoropropylamino)ethyl 2,2-dimethylbutanoate
CID 117671952
2-[(3,3,3-Trifluoro-2-methylpropyl)amino]ethyl 2,2-dimethylbutanoate
CID 117671962
[2-Methyl-2-(2,2,2-trifluoroethylamino)propyl] 2,2-dimethylbutanoate
CID 121308748
2-(Ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 61938386
2-Methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 61938587
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]butanoic acid
CID 63827356
2,2,3-Trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid
CID 65264419
3-(2,2-Difluoroethylamino)-2,2,3-trimethylbutanoic acid
CID 65265307
2,2,3-Trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid
CID 65265606
2,2,3-Trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]butanoic acid
CID 65265666
2,2,3-Trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
CID 65265688

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid (CID 65265184) is 2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid is CC(C)(NCCOCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid?
The InChIKey is SFINPZNRROTWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-9(2,8(16)17)10(3,4)15-5-6-18-7-11(12,13)14/h15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid?
2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid has a molecular weight of 271.28 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid is sourced from PubChem (CID 65265184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).