2-aminoethyl 2,2,2-trifluoroacetate

C4H6F3NO2 — CID 13307729

IUPAC2-aminoethyl 2,2,2-trifluoroacetate
SMILESNCCOC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)3(9)10-2-1-8/h1-2,8H2
InChIKeyAHNXUTVYNIURHF-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.05
Rot. Bonds2

About 2-aminoethyl 2,2,2-trifluoroacetate

2-aminoethyl 2,2,2-trifluoroacetate (PubChem CID 13307729) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 2-aminoethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-aminoethyl 2,2,2-trifluoroacetate
PubChem CID13307729
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2-aminoethyl 2,2,2-trifluoroacetate
SMILESNCCOC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)3(9)10-2-1-8/h1-2,8H2
InChIKeyAHNXUTVYNIURHF-UHFFFAOYSA-N
XLogP0.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(s)-4,4,4-Trifluoroethylglycine
CID 129844000
(s)-4,4-Difluoroethylglycine
CID 129844007
2,2,2-Trifluoroethyl glycinate
CID 20400199
2-Methoxyethylammonium trifluoroacetate
CID 22623616
3-Aminopropyl 2,2,2-trifluoroacetate
CID 57024838
(1-Amino-2-methoxyethyl) 2,2,2-trifluoroacetate
CID 57182896
1-Aminoethyl 2,2,2-trifluoroacetate
CID 57450721
(2-Aminoacetyl) 2,2,2-trifluoroacetate
CID 57503205
(1-Amino-2,2-difluoroethyl) acetate
CID 87244304
2-aminoethyl acetate TFA-salt
CID 87308533
(2-Amino-1-sulfanylethyl) 2,2,2-trifluoroacetate
CID 87521806
2-Aminopropyl 2,2,2-trifluoroacetate
CID 87630013

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-aminoethyl 2,2,2-trifluoroacetate (CID 13307729) is 2-aminoethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-aminoethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-aminoethyl 2,2,2-trifluoroacetate is NCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-aminoethyl 2,2,2-trifluoroacetate?
The InChIKey is AHNXUTVYNIURHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c5-4(6,7)3(9)10-2-1-8/h1-2,8H2.
What are the key properties of 2-aminoethyl 2,2,2-trifluoroacetate?
2-aminoethyl 2,2,2-trifluoroacetate has a molecular weight of 157.09 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 13307729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).