2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate

C6H7F6NO4 — CID 88697231

IUPAC2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate
SMILESNCC(=O)OCC(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2.C2HF3O2/c5-4(6,7)2-10-3(9)1-8;3-2(4,5)1(6)7/h1-2,8H2;(H,6,7)
InChIKeyUHKIHIMJPSPPTH-UHFFFAOYSA-N
MW271.11 g/mol
LogP0.68
Rot. Bonds2

About 2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate

2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate (PubChem CID 88697231) has the molecular formula C6H7F6NO4 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate
PubChem CID88697231
Molecular FormulaC6H7F6NO4
Molecular Weight271.11 g/mol
Exact Mass271.03
IUPAC Name2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate
SMILESNCC(=O)OCC(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2.C2HF3O2/c5-4(6,7)2-10-3(9)1-8;3-2(4,5)1(6)7/h1-2,8H2;(H,6,7)
InChIKeyUHKIHIMJPSPPTH-UHFFFAOYSA-N
XLogP0.68
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate?
The IUPAC name of 2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate (CID 88697231) is 2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate?
The canonical SMILES for 2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate is NCC(=O)OCC(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate?
The InChIKey is UHKIHIMJPSPPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2.C2HF3O2/c5-4(6,7)2-10-3(9)1-8;3-2(4,5)1(6)7/h1-2,8H2;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate?
2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate has a molecular weight of 271.11 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;2,2,2-trifluoroethyl 2-aminoacetate is sourced from PubChem (CID 88697231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).