2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid

C9H16F3NO2 — CID 65265606

IUPAC2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid
SMILESCC(C)(NCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C9H16F3NO2/c1-7(2,6(14)15)8(3,4)13-5-9(10,11)12/h13H,5H2,1-4H3,(H,14,15)
InChIKeyDFKOICMIEPHTOQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.03
Rot. Bonds4

About 2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid

2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid (PubChem CID 65265606) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid
PubChem CID65265606
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid
SMILESCC(C)(NCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C9H16F3NO2/c1-7(2,6(14)15)8(3,4)13-5-9(10,11)12/h13H,5H2,1-4H3,(H,14,15)
InChIKeyDFKOICMIEPHTOQ-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid (CID 65265606) is 2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid is CC(C)(NCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid?
The InChIKey is DFKOICMIEPHTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(2,6(14)15)8(3,4)13-5-9(10,11)12/h13H,5H2,1-4H3,(H,14,15).
What are the key properties of 2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid?
2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid has a molecular weight of 227.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid is sourced from PubChem (CID 65265606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).