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

C8H13F2NO2 — CID 104857503

IUPACN-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H13F2NO2/c1-2-3-4-7(13)11-5-8(9,10)6-12/h2,12H,1,3-6H2,(H,11,13)
InChIKeyCYJQXCNZFQKOSC-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.70
Rot. Bonds6

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

N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide (PubChem CID 104857503) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
PubChem CID104857503
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H13F2NO2/c1-2-3-4-7(13)11-5-8(9,10)6-12/h2,12H,1,3-6H2,(H,11,13)
InChIKeyCYJQXCNZFQKOSC-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide (CID 104857503) is N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide is C=CCCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide?
The InChIKey is CYJQXCNZFQKOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-3-4-7(13)11-5-8(9,10)6-12/h2,12H,1,3-6H2,(H,11,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide?
N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide has a molecular weight of 193.19 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide is sourced from PubChem (CID 104857503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).