3-[(2,2,2-trifluoroacetyl)amino]propanamide

C5H7F3N2O2 — CID 57054787

IUPAC3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESNC(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O2/c6-5(7,8)4(12)10-2-1-3(9)11/h1-2H2,(H2,9,11)(H,10,12)
InChIKeyQVFQFPWOXRWMJK-UHFFFAOYSA-N
MW184.12 g/mol
LogP-0.46
Rot. Bonds3

About 3-[(2,2,2-trifluoroacetyl)amino]propanamide

3-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 57054787) has the molecular formula C5H7F3N2O2 and a molecular weight of 184.12 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID57054787
Molecular FormulaC5H7F3N2O2
Molecular Weight184.12 g/mol
Exact Mass184.05
IUPAC Name3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESNC(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O2/c6-5(7,8)4(12)10-2-1-3(9)11/h1-2H2,(H2,9,11)(H,10,12)
InChIKeyQVFQFPWOXRWMJK-UHFFFAOYSA-N
XLogP-0.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 57054787) is 3-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for 3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for 3-[(2,2,2-trifluoroacetyl)amino]propanamide is NC(=O)CCNC(=O)C(F)(F)F.
What is the InChIKey of 3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is QVFQFPWOXRWMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O2/c6-5(7,8)4(12)10-2-1-3(9)11/h1-2H2,(H2,9,11)(H,10,12).
What are the key properties of 3-[(2,2,2-trifluoroacetyl)amino]propanamide?
3-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 184.12 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 57054787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).