2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide

C6H11F3N2O — CID 79789707

IUPAC2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
SMILESCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-3-11-4(12)5(2,10)6(7,8)9/h3,10H2,1-2H3,(H,11,12)
InChIKeyFDKXRFFAEKVUIO-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.40
Rot. Bonds2

About 2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79789707) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79789707
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
SMILESCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-3-11-4(12)5(2,10)6(7,8)9/h3,10H2,1-2H3,(H,11,12)
InChIKeyFDKXRFFAEKVUIO-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide (CID 79789707) is 2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide is CCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is FDKXRFFAEKVUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-3-11-4(12)5(2,10)6(7,8)9/h3,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 184.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79789707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).