2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide

C8H12F3NO2 — CID 140971816

IUPAC2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide
SMILESCCC(O)C(=O)NCCC(F)=C(F)F
InChIInChI=1S/C8H12F3NO2/c1-2-6(13)8(14)12-4-3-5(9)7(10)11/h6,13H,2-4H2,1H3,(H,12,14)
InChIKeyXWMODMYLFHXZOR-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.34
Rot. Bonds5

About 2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide

2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide (PubChem CID 140971816) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide.

Molecular Properties

Compound Name2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide
PubChem CID140971816
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide
SMILESCCC(O)C(=O)NCCC(F)=C(F)F
InChIInChI=1S/C8H12F3NO2/c1-2-6(13)8(14)12-4-3-5(9)7(10)11/h6,13H,2-4H2,1H3,(H,12,14)
InChIKeyXWMODMYLFHXZOR-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide?
The IUPAC name of 2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide (CID 140971816) is 2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide.
What is the SMILES notation for 2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide?
The canonical SMILES for 2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide is CCC(O)C(=O)NCCC(F)=C(F)F.
What is the InChIKey of 2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide?
The InChIKey is XWMODMYLFHXZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-2-6(13)8(14)12-4-3-5(9)7(10)11/h6,13H,2-4H2,1H3,(H,12,14).
What are the key properties of 2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide?
2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide has a molecular weight of 211.18 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide is sourced from PubChem (CID 140971816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).