6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid

C8H14F3NO2 — CID 116535512

IUPAC6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid
SMILESCNC(C)(CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H14F3NO2/c1-7(12-2,6(13)14)4-3-5-8(9,10)11/h12H,3-5H2,1-2H3,(H,13,14)
InChIKeyUIVJJJCTODJEGN-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.78
Rot. Bonds5

About 6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid

6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid (PubChem CID 116535512) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid
PubChem CID116535512
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid
SMILESCNC(C)(CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H14F3NO2/c1-7(12-2,6(13)14)4-3-5-8(9,10)11/h12H,3-5H2,1-2H3,(H,13,14)
InChIKeyUIVJJJCTODJEGN-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid (CID 116535512) is 6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid is CNC(C)(CCCC(F)(F)F)C(=O)O.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid?
The InChIKey is UIVJJJCTODJEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(12-2,6(13)14)4-3-5-8(9,10)11/h12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid?
6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid has a molecular weight of 213.20 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-(methylamino)hexanoic acid is sourced from PubChem (CID 116535512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).