2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid

C9H16F3NO2 — CID 60998946

IUPAC2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid
SMILESCC(C)CC(C)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H16F3NO2/c1-6(2)4-8(3,7(14)15)13-5-9(10,11)12/h6,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyJOAMLDKLHFWSNE-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.03
Rot. Bonds5

About 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid

2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid (PubChem CID 60998946) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid
PubChem CID60998946
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid
SMILESCC(C)CC(C)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H16F3NO2/c1-6(2)4-8(3,7(14)15)13-5-9(10,11)12/h6,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyJOAMLDKLHFWSNE-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid (CID 60998946) is 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid is CC(C)CC(C)(NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid?
The InChIKey is JOAMLDKLHFWSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6(2)4-8(3,7(14)15)13-5-9(10,11)12/h6,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid?
2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid has a molecular weight of 227.23 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanoic acid is sourced from PubChem (CID 60998946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).