4,4,4-trifluoro-2-(trifluoromethyl)butanamide

C5H5F6NO — CID 14248120

IUPAC4,4,4-trifluoro-2-(trifluoromethyl)butanamide
SMILESNC(=O)C(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6NO/c6-4(7,8)1-2(3(12)13)5(9,10)11/h2H,1H2,(H2,12,13)
InChIKeyVOOFVQUTEQFMDT-UHFFFAOYSA-N
MW209.09 g/mol
LogP1.60
Rot. Bonds2

About 4,4,4-trifluoro-2-(trifluoromethyl)butanamide

4,4,4-trifluoro-2-(trifluoromethyl)butanamide (PubChem CID 14248120) has the molecular formula C5H5F6NO and a molecular weight of 209.09 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(trifluoromethyl)butanamide
PubChem CID14248120
Molecular FormulaC5H5F6NO
Molecular Weight209.09 g/mol
Exact Mass209.03
IUPAC Name4,4,4-trifluoro-2-(trifluoromethyl)butanamide
SMILESNC(=O)C(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6NO/c6-4(7,8)1-2(3(12)13)5(9,10)11/h2H,1H2,(H2,12,13)
InChIKeyVOOFVQUTEQFMDT-UHFFFAOYSA-N
XLogP1.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 51.60
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-(trifluoromethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-2-(trifluoromethyl)butanamide (CID 14248120) is 4,4,4-trifluoro-2-(trifluoromethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-2-(trifluoromethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-2-(trifluoromethyl)butanamide is NC(=O)C(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-(trifluoromethyl)butanamide?
The InChIKey is VOOFVQUTEQFMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6NO/c6-4(7,8)1-2(3(12)13)5(9,10)11/h2H,1H2,(H2,12,13).
What are the key properties of 4,4,4-trifluoro-2-(trifluoromethyl)butanamide?
4,4,4-trifluoro-2-(trifluoromethyl)butanamide has a molecular weight of 209.09 g/mol, XLogP of 1.60, 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-(trifluoromethyl)butanamide is sourced from PubChem (CID 14248120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).