3,3,3-trifluoro-2-methylpropanamide

C4H6F3NO — CID 22621278

IUPAC3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C(N)=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-2(3(8)9)4(5,6)7/h2H,1H3,(H2,8,9)
InChIKeyMXEXHASUJVVTKU-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.67
Rot. Bonds1

About 3,3,3-trifluoro-2-methylpropanamide

3,3,3-trifluoro-2-methylpropanamide (PubChem CID 22621278) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methylpropanamide
PubChem CID22621278
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C(N)=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-2(3(8)9)4(5,6)7/h2H,1H3,(H2,8,9)
InChIKeyMXEXHASUJVVTKU-UHFFFAOYSA-N
XLogP0.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-methylpropanamide (CID 22621278) is 3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methylpropanamide is CC(C(N)=O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is MXEXHASUJVVTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-2(3(8)9)4(5,6)7/h2H,1H3,(H2,8,9).
What are the key properties of 3,3,3-trifluoro-2-methylpropanamide?
3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 141.09 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 22621278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).