4,4,4-trifluoro-3-methylbutanamide

C5H8F3NO — CID 11819257

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

About 4,4,4-trifluoro-3-methylbutanamide

4,4,4-trifluoro-3-methylbutanamide (PubChem CID 11819257) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methylbutanamide
PubChem CID11819257
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name4,4,4-trifluoro-3-methylbutanamide
SMILESCC(CC(N)=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-3(2-4(9)10)5(6,7)8/h3H,2H2,1H3,(H2,9,10)
InChIKeyRXWSANZGHLWOLA-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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Related Compounds

3-Methylbutanamide
CID 10930
2-Methylbutanamide
CID 97778
(+)-(s)-2-Methyl-butanoic amide
CID 21344920
(R)-2-Methylbutanamide
CID 41097729
2,2-Difluorocyclopropane-1-carboxamide
CID 55284166
2-(Trifluoromethyl) propionamide
CID 22621278
3-Methyl-2-(trifluoromethyl)butanamide
CID 59458991
Hexafluoroisopropylacetamide
CID 129794426
2-Fluoro-2-methylbutanamide
CID 85550889
4,4,4-Trifluoro-2-(trifluoromethyl)butanamide
CID 14248120
3,3-Dimethyl-2-(trifluoromethyl)butanamide
CID 138970520
2-(Difluoromethyl)-4,4-difluorobutanamide
CID 138973948

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-3-methylbutanamide (CID 11819257) is 4,4,4-trifluoro-3-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-3-methylbutanamide is CC(CC(N)=O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methylbutanamide?
The InChIKey is RXWSANZGHLWOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-3(2-4(9)10)5(6,7)8/h3H,2H2,1H3,(H2,9,10).
What are the key properties of 4,4,4-trifluoro-3-methylbutanamide?
4,4,4-trifluoro-3-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-3-methylbutanamide is sourced from PubChem (CID 11819257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).