N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide

C11H19F3N2O — CID 115496276

IUPACN-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide
SMILESC=CCNC(=O)C(C)NCCCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-3-7-16-10(17)9(2)15-8-5-4-6-11(12,13)14/h3,9,15H,1,4-8H2,2H3,(H,16,17)
InChIKeyJRFGCCKZJYLHRP-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.00
Rot. Bonds8

About N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide

N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide (PubChem CID 115496276) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide
PubChem CID115496276
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide
SMILESC=CCNC(=O)C(C)NCCCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-3-7-16-10(17)9(2)15-8-5-4-6-11(12,13)14/h3,9,15H,1,4-8H2,2H3,(H,16,17)
InChIKeyJRFGCCKZJYLHRP-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide?
The IUPAC name of N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide (CID 115496276) is N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide.
What is the SMILES notation for N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide?
The canonical SMILES for N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide is C=CCNC(=O)C(C)NCCCCC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide?
The InChIKey is JRFGCCKZJYLHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-3-7-16-10(17)9(2)15-8-5-4-6-11(12,13)14/h3,9,15H,1,4-8H2,2H3,(H,16,17).
What are the key properties of N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide?
N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide has a molecular weight of 252.28 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide is sourced from PubChem (CID 115496276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).