2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid

C6H8F6N2O3 — CID 86698903

IUPAC2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESNCC(=O)NCC(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O.C2HF3O2/c5-4(6,7)2-9-3(10)1-8;3-2(4,5)1(6)7/h1-2,8H2,(H,9,10);(H,6,7)
InChIKeyPHLLKUGCLRWDBL-UHFFFAOYSA-N
MW270.13 g/mol
LogP0.26
Rot. Bonds2

About 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid

2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 86698903) has the molecular formula C6H8F6N2O3 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID86698903
Molecular FormulaC6H8F6N2O3
Molecular Weight270.13 g/mol
Exact Mass270.04
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESNCC(=O)NCC(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O.C2HF3O2/c5-4(6,7)2-9-3(10)1-8;3-2(4,5)1(6)7/h1-2,8H2,(H,9,10);(H,6,7)
InChIKeyPHLLKUGCLRWDBL-UHFFFAOYSA-N
XLogP0.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid (CID 86698903) is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid is NCC(=O)NCC(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is PHLLKUGCLRWDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O.C2HF3O2/c5-4(6,7)2-9-3(10)1-8;3-2(4,5)1(6)7/h1-2,8H2,(H,9,10);(H,6,7).
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid?
2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 270.13 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86698903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).