2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid

C11H20F3NO3 — CID 106806903

IUPAC2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCCNC(CC)(CCCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H20F3NO3/c1-3-10(9(16)17,15-4-2)6-5-7-18-8-11(12,13)14/h15H,3-8H2,1-2H3,(H,16,17)
InChIKeyPIOBHBDIOBAHKV-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.19
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid

2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid (PubChem CID 106806903) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
PubChem CID106806903
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCCNC(CC)(CCCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H20F3NO3/c1-3-10(9(16)17,15-4-2)6-5-7-18-8-11(12,13)14/h15H,3-8H2,1-2H3,(H,16,17)
InChIKeyPIOBHBDIOBAHKV-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.19
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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Related Compounds

2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106487383
2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 55106871
2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 106807173
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199
2-ethyl-2-(ethylamino)-5-propylsulfanylpentanoic acid
CID 106807288
2-ethyl-2-(ethylamino)-5-(4-fluoro-3-methylphenoxy)pentanoic acid
CID 106807129
2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 106807155
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propanoic acid
CID 82788319
2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694252

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid (CID 106806903) is 2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid is CCNC(CC)(CCCOCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The InChIKey is PIOBHBDIOBAHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-3-10(9(16)17,15-4-2)6-5-7-18-8-11(12,13)14/h15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid?
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid has a molecular weight of 271.28 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid is sourced from PubChem (CID 106806903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).