2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid

C10H16F3NO4 — CID 61329824

IUPAC2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESCCCCN(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C10H16F3NO4/c1-2-3-4-14(7-10(11,12)13)8(15)5-18-6-9(16)17/h2-7H2,1H3,(H,16,17)
InChIKeyGTCZNZQOSXUEQN-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.28
Rot. Bonds8

About 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid

2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61329824) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61329824
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESCCCCN(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C10H16F3NO4/c1-2-3-4-14(7-10(11,12)13)8(15)5-18-6-9(16)17/h2-7H2,1H3,(H,16,17)
InChIKeyGTCZNZQOSXUEQN-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (CID 61329824) is 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is CCCCN(CC(F)(F)F)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is GTCZNZQOSXUEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-2-3-4-14(7-10(11,12)13)8(15)5-18-6-9(16)17/h2-7H2,1H3,(H,16,17).
What are the key properties of 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 271.23 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).