N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide

C8H12F3NO2 — CID 103726462

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-2-3-4-7(14)12-5-6(13)8(9,10)11/h2,6,13H,1,3-5H2,(H,12,14)
InChIKeyGFHDMHXZDWWUPD-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.99
Rot. Bonds5

About N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide

N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide (PubChem CID 103726462) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide
PubChem CID103726462
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-2-3-4-7(14)12-5-6(13)8(9,10)11/h2,6,13H,1,3-5H2,(H,12,14)
InChIKeyGFHDMHXZDWWUPD-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide
CID 90093180
2-hydroxy-N-(3,4,4-trifluorobut-3-enyl)butanamide
CID 140971816
N-(1,1,1-trifluoro-3-hydroxy-4-oxobutan-2-yl)pent-4-enamide
CID 146374348
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide
CID 103726425
N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide
CID 103769689
N-(3,3-difluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide
CID 103769698
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 103857374
N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
CID 104857503
2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide
CID 105646037
2-amino-N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide
CID 105646323
N-(3,3,3-trifluoro-2-hydroxypropyl)but-3-enamide
CID 105648653
N-(3,3-difluoro-2-hydroxypropyl)but-3-enamide
CID 105649063

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide (CID 103726462) is N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide is C=CCCC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide?
The InChIKey is GFHDMHXZDWWUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-2-3-4-7(14)12-5-6(13)8(9,10)11/h2,6,13H,1,3-5H2,(H,12,14).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide has a molecular weight of 211.18 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide is sourced from PubChem (CID 103726462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).