N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide

C6H9F3N2O2 — CID 62728423

IUPACN-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCNC(=O)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-3(4(12)10-2)11-5(13)6(7,8)9/h3H,1-2H3,(H,10,12)(H,11,13)
InChIKeyMCMBQJQQAXBQSP-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.20
Rot. Bonds2

About N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide

N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 62728423) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID62728423
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC NameN-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCNC(=O)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-3(4(12)10-2)11-5(13)6(7,8)9/h3H,1-2H3,(H,10,12)(H,11,13)
InChIKeyMCMBQJQQAXBQSP-UHFFFAOYSA-N
XLogP-0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 62728423) is N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide is CNC(=O)C(C)NC(=O)C(F)(F)F.
What is the InChIKey of N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is MCMBQJQQAXBQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c1-3(4(12)10-2)11-5(13)6(7,8)9/h3H,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 198.14 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 62728423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).