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

C8H13F2NO2 — CID 103769689

IUPACN-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(O)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-3-4-7(13)11-5-6(12)8(9)10/h2,6,8,12H,1,3-5H2,(H,11,13)
InChIKeyAMZYYRWNSHEJQG-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.69
Rot. Bonds6

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

N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide (PubChem CID 103769689) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide
PubChem CID103769689
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(O)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-3-4-7(13)11-5-6(12)8(9)10/h2,6,8,12H,1,3-5H2,(H,11,13)
InChIKeyAMZYYRWNSHEJQG-UHFFFAOYSA-N
XLogP0.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide
CID 103726462
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-difluoro-2-hydroxypropyl)pent-4-enamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide (CID 103769689) is N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide is C=CCCC(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide?
The InChIKey is AMZYYRWNSHEJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-3-4-7(13)11-5-6(12)8(9)10/h2,6,8,12H,1,3-5H2,(H,11,13).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide?
N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide has a molecular weight of 193.19 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide is sourced from PubChem (CID 103769689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).