2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid

C11H20F3NO3 — CID 62821486

IUPAC2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid
SMILESCCN(CCCOCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H20F3NO3/c1-4-15(10(2,3)9(16)17)6-5-7-18-8-11(12,13)14/h4-8H2,1-3H3,(H,16,17)
InChIKeyMKFPFUOGVXCCBG-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.14
Rot. Bonds8

About 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid

2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid (PubChem CID 62821486) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid
PubChem CID62821486
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid
SMILESCCN(CCCOCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H20F3NO3/c1-4-15(10(2,3)9(16)17)6-5-7-18-8-11(12,13)14/h4-8H2,1-3H3,(H,16,17)
InChIKeyMKFPFUOGVXCCBG-UHFFFAOYSA-N
XLogP2.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid (CID 62821486) is 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid is CCN(CCCOCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid?
The InChIKey is MKFPFUOGVXCCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-4-15(10(2,3)9(16)17)6-5-7-18-8-11(12,13)14/h4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid?
2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid has a molecular weight of 271.28 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62821486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).