3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide

C6H8F3NO2 — CID 19783041

IUPAC3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-3(2)10-5(12)4(11)6(7,8)9/h3H,1-2H3,(H,10,12)
InChIKeyZJXVDNKGKLMFET-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.64
Rot. Bonds2

About 3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide

3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide (PubChem CID 19783041) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide
PubChem CID19783041
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-3(2)10-5(12)4(11)6(7,8)9/h3H,1-2H3,(H,10,12)
InChIKeyZJXVDNKGKLMFET-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide (CID 19783041) is 3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide is CC(C)NC(=O)C(=O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide?
The InChIKey is ZJXVDNKGKLMFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-3(2)10-5(12)4(11)6(7,8)9/h3H,1-2H3,(H,10,12).
What are the key properties of 3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide?
3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide has a molecular weight of 183.13 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-oxo-N-propan-2-ylpropanamide is sourced from PubChem (CID 19783041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).