4,4,4-trifluoro-N,2-dimethylbutanamide

C6H10F3NO — CID 23548713

IUPAC4,4,4-trifluoro-N,2-dimethylbutanamide
SMILESCNC(=O)C(C)CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-4(5(11)10-2)3-6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyGYKFLBQEYAHDPM-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.32
Rot. Bonds2

About 4,4,4-trifluoro-N,2-dimethylbutanamide

4,4,4-trifluoro-N,2-dimethylbutanamide (PubChem CID 23548713) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N,2-dimethylbutanamide
PubChem CID23548713
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name4,4,4-trifluoro-N,2-dimethylbutanamide
SMILESCNC(=O)C(C)CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-4(5(11)10-2)3-6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyGYKFLBQEYAHDPM-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.32
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-N,2-dimethylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N,2-dimethylbutanamide (CID 23548713) is 4,4,4-trifluoro-N,2-dimethylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N,2-dimethylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N,2-dimethylbutanamide is CNC(=O)C(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N,2-dimethylbutanamide?
The InChIKey is GYKFLBQEYAHDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-4(5(11)10-2)3-6(7,8)9/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 4,4,4-trifluoro-N,2-dimethylbutanamide?
4,4,4-trifluoro-N,2-dimethylbutanamide has a molecular weight of 169.15 g/mol, XLogP of 1.32, 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-N,2-dimethylbutanamide is sourced from PubChem (CID 23548713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).