2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide

C10H15F3N2O — CID 79796602

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-4-6-15(7-5-2)8(16)9(3,14)10(11,12)13/h4-5H,1-2,6-7,14H2,3H3
InChIKeyXIKCKLWLIPILDC-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide (PubChem CID 79796602) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide
PubChem CID79796602
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-4-6-15(7-5-2)8(16)9(3,14)10(11,12)13/h4-5H,1-2,6-7,14H2,3H3
InChIKeyXIKCKLWLIPILDC-UHFFFAOYSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide (CID 79796602) is 2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is XIKCKLWLIPILDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-4-6-15(7-5-2)8(16)9(3,14)10(11,12)13/h4-5H,1-2,6-7,14H2,3H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 236.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 79796602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).