4,4,4-trifluoro-2-methylbutanamide

C5H8F3NO — CID 10080598

IUPAC4,4,4-trifluoro-2-methylbutanamide
SMILESCC(CC(F)(F)F)C(N)=O
InChIInChI=1S/C5H8F3NO/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H2,9,10)
InChIKeyCSVKEFBFKJBWND-UHFFFAOYSA-N
MW155.12 g/mol
LogP1.06
Rot. Bonds2

About 4,4,4-trifluoro-2-methylbutanamide

4,4,4-trifluoro-2-methylbutanamide (PubChem CID 10080598) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methylbutanamide
PubChem CID10080598
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name4,4,4-trifluoro-2-methylbutanamide
SMILESCC(CC(F)(F)F)C(N)=O
InChIInChI=1S/C5H8F3NO/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H2,9,10)
InChIKeyCSVKEFBFKJBWND-UHFFFAOYSA-N
XLogP1.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-2-methylbutanamide (CID 10080598) is 4,4,4-trifluoro-2-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-2-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-2-methylbutanamide is CC(CC(F)(F)F)C(N)=O.
What is the InChIKey of 4,4,4-trifluoro-2-methylbutanamide?
The InChIKey is CSVKEFBFKJBWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H2,9,10).
What are the key properties of 4,4,4-trifluoro-2-methylbutanamide?
4,4,4-trifluoro-2-methylbutanamide has a molecular weight of 155.12 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methylbutanamide is sourced from PubChem (CID 10080598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).