2,2,3,3,4-pentafluorobutanamide

C4H4F5NO — CID 21261925

IUPAC2,2,3,3,4-pentafluorobutanamide
SMILESNC(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C4H4F5NO/c5-1-3(6,7)4(8,9)2(10)11/h1H2,(H2,10,11)
InChIKeyUNENFOKXMCXDOS-UHFFFAOYSA-N
MW177.07 g/mol
LogP0.71
Rot. Bonds3

About 2,2,3,3,4-pentafluorobutanamide

2,2,3,3,4-pentafluorobutanamide (PubChem CID 21261925) has the molecular formula C4H4F5NO and a molecular weight of 177.07 g/mol. Its IUPAC name is 2,2,3,3,4-pentafluorobutanamide.

Molecular Properties

Compound Name2,2,3,3,4-pentafluorobutanamide
PubChem CID21261925
Molecular FormulaC4H4F5NO
Molecular Weight177.07 g/mol
Exact Mass177.02
IUPAC Name2,2,3,3,4-pentafluorobutanamide
SMILESNC(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C4H4F5NO/c5-1-3(6,7)4(8,9)2(10)11/h1H2,(H2,10,11)
InChIKeyUNENFOKXMCXDOS-UHFFFAOYSA-N
XLogP0.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Heptafluorobutyramide
CID 12626
2,2,3,3,4,4,5,5-Octafluoropentanamide
CID 2063303
4,4,4-Trifluorobutanamide
CID 1272518
2,2,3,3-Tetrafluoro-propionamide
CID 2776734
2.2.3-Trifluor-propionsaeure-amid
CID 18994193
4,4,5,5,5-Pentafluoropentanamide
CID 54092366
Hexafluoroisopropylacetamide
CID 129794426
4,4,4-Trifluoro-2-(trifluoromethyl)butanamide
CID 14248120
2-(Difluoromethyl)-4,4-difluorobutanamide
CID 138973948
3,4,4-Trifluorobutanamide
CID 18376727
4,4,4-Trifluorobutanamide;hydrochloride
CID 22560768
N,2,4-trifluorobutanamide
CID 23290112

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentafluorobutanamide?
The IUPAC name of 2,2,3,3,4-pentafluorobutanamide (CID 21261925) is 2,2,3,3,4-pentafluorobutanamide.
What is the SMILES notation for 2,2,3,3,4-pentafluorobutanamide?
The canonical SMILES for 2,2,3,3,4-pentafluorobutanamide is NC(=O)C(F)(F)C(F)(F)CF.
What is the InChIKey of 2,2,3,3,4-pentafluorobutanamide?
The InChIKey is UNENFOKXMCXDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5NO/c5-1-3(6,7)4(8,9)2(10)11/h1H2,(H2,10,11).
What are the key properties of 2,2,3,3,4-pentafluorobutanamide?
2,2,3,3,4-pentafluorobutanamide has a molecular weight of 177.07 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentafluorobutanamide is sourced from PubChem (CID 21261925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).