N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide

C10H17F3N2O — CID 79040727

IUPACN-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide
SMILESC=CCNC(=O)C(C)NCCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-3-6-15-9(16)8(2)14-7-4-5-10(11,12)13/h3,8,14H,1,4-7H2,2H3,(H,15,16)
InChIKeyHYZXJOANFIGZKX-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.61
Rot. Bonds7

About N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide

N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide (PubChem CID 79040727) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide
PubChem CID79040727
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide
SMILESC=CCNC(=O)C(C)NCCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-3-6-15-9(16)8(2)14-7-4-5-10(11,12)13/h3,8,14H,1,4-7H2,2H3,(H,15,16)
InChIKeyHYZXJOANFIGZKX-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide?
The IUPAC name of N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide (CID 79040727) is N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide.
What is the SMILES notation for N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide?
The canonical SMILES for N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide is C=CCNC(=O)C(C)NCCCC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide?
The InChIKey is HYZXJOANFIGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-3-6-15-9(16)8(2)14-7-4-5-10(11,12)13/h3,8,14H,1,4-7H2,2H3,(H,15,16).
What are the key properties of N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide?
N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide has a molecular weight of 238.25 g/mol, XLogP of 1.61, 7 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-(4,4,4-trifluorobutylamino)propanamide is sourced from PubChem (CID 79040727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).