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

C8H14F2N2O2 — CID 106176820

IUPAC2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCC(F)(F)CO
InChIInChI=1S/C8H14F2N2O2/c1-2-3-6(11)7(14)12-4-8(9,10)5-13/h2,6,13H,1,3-5,11H2,(H,12,14)
InChIKeyQXVQVPWTFMTLKA-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.37
Rot. Bonds6

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

2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide (PubChem CID 106176820) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
PubChem CID106176820
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCC(F)(F)CO
InChIInChI=1S/C8H14F2N2O2/c1-2-3-6(11)7(14)12-4-8(9,10)5-13/h2,6,13H,1,3-5,11H2,(H,12,14)
InChIKeyQXVQVPWTFMTLKA-UHFFFAOYSA-N
XLogP-0.37
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide?
The IUPAC name of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide (CID 106176820) is 2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide?
The canonical SMILES for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide is C=CCC(N)C(=O)NCC(F)(F)CO.
What is the InChIKey of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide?
The InChIKey is QXVQVPWTFMTLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-2-3-6(11)7(14)12-4-8(9,10)5-13/h2,6,13H,1,3-5,11H2,(H,12,14).
What are the key properties of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide?
2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide has a molecular weight of 208.21 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide is sourced from PubChem (CID 106176820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).