2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide

C7H9F6NO4 — CID 175815324

IUPAC2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2.C2HF3O2/c1-9(2)4(11)3(10)5(6,7)8;3-2(4,5)1(6)7/h3,10H,1-2H3;(H,6,7)
InChIKeyZHUFKNXQBAGIMI-UHFFFAOYSA-N
MW285.14 g/mol
LogP0.63
Rot. Bonds1

About 2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide

2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide (PubChem CID 175815324) has the molecular formula C7H9F6NO4 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide
PubChem CID175815324
Molecular FormulaC7H9F6NO4
Molecular Weight285.14 g/mol
Exact Mass285.04
IUPAC Name2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2.C2HF3O2/c1-9(2)4(11)3(10)5(6,7)8;3-2(4,5)1(6)7/h3,10H,1-2H3;(H,6,7)
InChIKeyZHUFKNXQBAGIMI-UHFFFAOYSA-N
XLogP0.63
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide?
The IUPAC name of 2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide (CID 175815324) is 2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide?
The canonical SMILES for 2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide is CN(C)C(=O)C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide?
The InChIKey is ZHUFKNXQBAGIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2.C2HF3O2/c1-9(2)4(11)3(10)5(6,7)8;3-2(4,5)1(6)7/h3,10H,1-2H3;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide?
2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide has a molecular weight of 285.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide is sourced from PubChem (CID 175815324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).