2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid

C10H18F3NO3 — CID 107704620

IUPAC2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCCCCCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c11-10(12,13)8-14(7-9(16)17)5-3-1-2-4-6-15/h15H,1-8H2,(H,16,17)
InChIKeyJZJAOARQOUHJRD-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.49
Rot. Bonds9

About 2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 107704620) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID107704620
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCCCCCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c11-10(12,13)8-14(7-9(16)17)5-3-1-2-4-6-15/h15H,1-8H2,(H,16,17)
InChIKeyJZJAOARQOUHJRD-UHFFFAOYSA-N
XLogP1.49
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.49
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-[decyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266101
2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
CID 138080551
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258337
2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
CID 107704554
4-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]butanoic acid
CID 107485886
2-[[4-(hydroxymethyl)phenyl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113365882
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111109944
1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one
CID 107481284
2-[but-2-ynyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257955

Frequently Asked Questions

What is the IUPAC name of 2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 107704620) is 2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CCCCCCO)CC(F)(F)F.
What is the InChIKey of 2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is JZJAOARQOUHJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c11-10(12,13)8-14(7-9(16)17)5-3-1-2-4-6-15/h15H,1-8H2,(H,16,17).
What are the key properties of 2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 257.25 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 107704620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).