2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid

C14H26F3NO2 — CID 79266101

IUPAC2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCCCCCCCCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C14H26F3NO2/c1-2-3-4-5-6-7-8-9-10-18(11-13(19)20)12-14(15,16)17/h2-12H2,1H3,(H,19,20)
InChIKeyKJVCEHQIOMVYHW-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.08
Rot. Bonds12

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

2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266101) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266101
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCCCCCCCCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C14H26F3NO2/c1-2-3-4-5-6-7-8-9-10-18(11-13(19)20)12-14(15,16)17/h2-12H2,1H3,(H,19,20)
InChIKeyKJVCEHQIOMVYHW-UHFFFAOYSA-N
XLogP4.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 107704620
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258337
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)octan-1-amine
CID 107488181
2-[hexyl(methyl)amino]acetic acid
CID 10197909
2-[octyl(prop-2-ynyl)amino]acetic acid
CID 79283704
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
3-(dioctadecylamino)propanoic acid
CID 101313756

Frequently Asked Questions

What is the IUPAC name of 2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266101) is 2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid is CCCCCCCCCCN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is KJVCEHQIOMVYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-2-3-4-5-6-7-8-9-10-18(11-13(19)20)12-14(15,16)17/h2-12H2,1H3,(H,19,20).
What are the key properties of 2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 297.36 g/mol, XLogP of 4.08, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).