3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid

C9H16F3NO2 — CID 62271396

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
SMILESCCN(CC(F)(F)F)CC(C)(C)C(=O)O
InChIInChI=1S/C9H16F3NO2/c1-4-13(6-9(10,11)12)5-8(2,3)7(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyQXCVWMVWISBZFN-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.98
Rot. Bonds5

About 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid

3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 62271396) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
PubChem CID62271396
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
SMILESCCN(CC(F)(F)F)CC(C)(C)C(=O)O
InChIInChI=1S/C9H16F3NO2/c1-4-13(6-9(10,11)12)5-8(2,3)7(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyQXCVWMVWISBZFN-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid (CID 62271396) is 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid is CCN(CC(F)(F)F)CC(C)(C)C(=O)O.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is QXCVWMVWISBZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-4-13(6-9(10,11)12)5-8(2,3)7(14)15/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid?
3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 227.23 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 62271396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).