2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide

C8H12F4N2O — CID 106291699

IUPAC2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2O/c1-2-3-5(13)6(15)14-4-8(11,12)7(9)10/h2,5,7H,1,3-4,13H2,(H,14,15)
InChIKeyZJBKXDGSPRLONS-UHFFFAOYSA-N
MW228.19 g/mol
LogP0.91
Rot. Bonds6

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

2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide (PubChem CID 106291699) has the molecular formula C8H12F4N2O and a molecular weight of 228.19 g/mol. Its IUPAC name is 2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide
PubChem CID106291699
Molecular FormulaC8H12F4N2O
Molecular Weight228.19 g/mol
Exact Mass228.09
IUPAC Name2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2O/c1-2-3-5(13)6(15)14-4-8(11,12)7(9)10/h2,5,7H,1,3-4,13H2,(H,14,15)
InChIKeyZJBKXDGSPRLONS-UHFFFAOYSA-N
XLogP0.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide?
The IUPAC name of 2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide (CID 106291699) is 2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide?
The canonical SMILES for 2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide is C=CCC(N)C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide?
The InChIKey is ZJBKXDGSPRLONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2O/c1-2-3-5(13)6(15)14-4-8(11,12)7(9)10/h2,5,7H,1,3-4,13H2,(H,14,15).
What are the key properties of 2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide?
2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide has a molecular weight of 228.19 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,3,3-tetrafluoropropyl)pent-4-enamide is sourced from PubChem (CID 106291699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).