2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid

C12H22F3NO3 — CID 106807109

IUPAC2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
SMILESCCNC(CC)(CCCOC(C)C(F)(F)F)C(=O)O
InChIInChI=1S/C12H22F3NO3/c1-4-11(10(17)18,16-5-2)7-6-8-19-9(3)12(13,14)15/h9,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyFLZCRRSDCAACAY-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.58
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid

2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid (PubChem CID 106807109) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
PubChem CID106807109
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC Name2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
SMILESCCNC(CC)(CCCOC(C)C(F)(F)F)C(=O)O
InChIInChI=1S/C12H22F3NO3/c1-4-11(10(17)18,16-5-2)7-6-8-19-9(3)12(13,14)15/h9,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyFLZCRRSDCAACAY-UHFFFAOYSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.58
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

4-(2,2-Difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid
CID 18446275
2-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentanoic acid
CID 54961876
2-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid
CID 61490552
2-Methyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937363
2-(Ethylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937364
2-Methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937567
2-Methyl-2-(propan-2-ylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937568
2-(Cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937982
Methyl 2-(ethylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 61938387
Ethyl 2-(ethylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 61938388
Methyl 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentanoate
CID 61938591
Ethyl 2-methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentanoate
CID 61938592

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid (CID 106807109) is 2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid is CCNC(CC)(CCCOC(C)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
The InChIKey is FLZCRRSDCAACAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-4-11(10(17)18,16-5-2)7-6-8-19-9(3)12(13,14)15/h9,16H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
2-ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid has a molecular weight of 285.31 g/mol, XLogP of 2.58, 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-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid is sourced from PubChem (CID 106807109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).