2-(2,2,2-trifluoroethoxyamino)hexanoic acid

C8H14F3NO3 — CID 103261646

IUPAC2-(2,2,2-trifluoroethoxyamino)hexanoic acid
SMILESCCCCC(NOCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H14F3NO3/c1-2-3-4-6(7(13)14)12-15-5-8(9,10)11/h6,12H,2-5H2,1H3,(H,13,14)
InChIKeyYAGJQVCBHXYZRX-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.71
Rot. Bonds7

About 2-(2,2,2-trifluoroethoxyamino)hexanoic acid

2-(2,2,2-trifluoroethoxyamino)hexanoic acid (PubChem CID 103261646) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxyamino)hexanoic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxyamino)hexanoic acid
PubChem CID103261646
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2-(2,2,2-trifluoroethoxyamino)hexanoic acid
SMILESCCCCC(NOCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H14F3NO3/c1-2-3-4-6(7(13)14)12-15-5-8(9,10)11/h6,12H,2-5H2,1H3,(H,13,14)
InChIKeyYAGJQVCBHXYZRX-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(methoxyamino)hexanoic acid
CID 103254320
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
CID 82722618
(2S)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]hexanoic acid
CID 107144480
2-(hexoxyamino)pentanedioic acid;hydrofluoride
CID 174643827
N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide
CID 82722236
(2R)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632402
(2S)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632401
2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid
CID 113470663
(2S)-2-(3,3,3-trifluoropropylsulfonylamino)hexanoic acid
CID 122070574
2-[[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]amino]hexanoic acid
CID 120537909
2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid
CID 106294351

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxyamino)hexanoic acid?
The IUPAC name of 2-(2,2,2-trifluoroethoxyamino)hexanoic acid (CID 103261646) is 2-(2,2,2-trifluoroethoxyamino)hexanoic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxyamino)hexanoic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethoxyamino)hexanoic acid is CCCCC(NOCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(2,2,2-trifluoroethoxyamino)hexanoic acid?
The InChIKey is YAGJQVCBHXYZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-2-3-4-6(7(13)14)12-15-5-8(9,10)11/h6,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(2,2,2-trifluoroethoxyamino)hexanoic acid?
2-(2,2,2-trifluoroethoxyamino)hexanoic acid has a molecular weight of 229.20 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxyamino)hexanoic acid is sourced from PubChem (CID 103261646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).