2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid

C12H22F3NO3 — CID 65265779

IUPAC2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid
SMILESCC(C)(NCCCOCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C12H22F3NO3/c1-10(2,9(17)18)11(3,4)16-6-5-7-19-8-12(13,14)15/h16H,5-8H2,1-4H3,(H,17,18)
InChIKeyPUCKLZULRXLZHJ-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.43
Rot. Bonds8

About 2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid

2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid (PubChem CID 65265779) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid
PubChem CID65265779
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC Name2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid
SMILESCC(C)(NCCCOCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C12H22F3NO3/c1-10(2,9(17)18)11(3,4)16-6-5-7-19-8-12(13,14)15/h16H,5-8H2,1-4H3,(H,17,18)
InChIKeyPUCKLZULRXLZHJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
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 2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid (CID 65265779) is 2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid is CC(C)(NCCCOCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid?
The InChIKey is PUCKLZULRXLZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-10(2,9(17)18)11(3,4)16-6-5-7-19-8-12(13,14)15/h16H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid?
2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid has a molecular weight of 285.31 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid is sourced from PubChem (CID 65265779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).