2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid

C12H22F3NO3 — CID 66276798

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

About 2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid

2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid (PubChem CID 66276798) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid
PubChem CID66276798
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC Name2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid
SMILESCCNC(C)(CCCCOC(C)C(F)(F)F)C(=O)O
InChIInChI=1S/C12H22F3NO3/c1-4-16-11(3,10(17)18)7-5-6-8-19-9(2)12(13,14)15/h9,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyOGUOEXBDOMGNTN-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

Ethyl 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoate
CID 54892949
2,5-Dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid
CID 60998941
Ethyl 2-methyl-2-(propylamino)-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61936747
Methyl 2-methyl-2-(propan-2-ylamino)-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61936951
Ethyl 2-methyl-2-(propan-2-ylamino)-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61936952
2-Methyl-2-(methylamino)-6-(2,2,2-trifluoroethoxy)hexanoic acid
CID 61936955
2-(Ethylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexanoic acid
CID 61936956
Methyl 2-(cyclopropylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61937157
Ethyl 2-(cyclopropylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexanoate
CID 61937158
2-Methyl-2-(propylamino)-6-(2,2,2-trifluoroethoxy)hexanoic acid
CID 61937159
2-Methyl-2-(propan-2-ylamino)-6-(2,2,2-trifluoroethoxy)hexanoic acid
CID 61937160
2-(Cyclopropylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexanoic acid
CID 61937161

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid (CID 66276798) is 2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid is CCNC(C)(CCCCOC(C)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid?
The InChIKey is OGUOEXBDOMGNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-4-16-11(3,10(17)18)7-5-6-8-19-9(2)12(13,14)15/h9,16H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid?
2-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic 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-(ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid is sourced from PubChem (CID 66276798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).