N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide

C9H15F3N2O — CID 63226818

IUPACN-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide
SMILESC=CCNC(=O)C(C)NCCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-3-5-14-8(15)7(2)13-6-4-9(10,11)12/h3,7,13H,1,4-6H2,2H3,(H,14,15)
InChIKeyZXQDKIBTHJTRNC-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.22
Rot. Bonds6

About N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide

N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide (PubChem CID 63226818) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide
PubChem CID63226818
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide
SMILESC=CCNC(=O)C(C)NCCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-3-5-14-8(15)7(2)13-6-4-9(10,11)12/h3,7,13H,1,4-6H2,2H3,(H,14,15)
InChIKeyZXQDKIBTHJTRNC-UHFFFAOYSA-N
XLogP1.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.22
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-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide?
The IUPAC name of N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide (CID 63226818) is N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide.
What is the SMILES notation for N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide?
The canonical SMILES for N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide is C=CCNC(=O)C(C)NCCC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide?
The InChIKey is ZXQDKIBTHJTRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-3-5-14-8(15)7(2)13-6-4-9(10,11)12/h3,7,13H,1,4-6H2,2H3,(H,14,15).
What are the key properties of N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide?
N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide has a molecular weight of 224.23 g/mol, XLogP of 1.22, 6 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-(3,3,3-trifluoropropylamino)propanamide is sourced from PubChem (CID 63226818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).