N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide

C8H11F3N2O2 — CID 18970234

IUPACN-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-2-6(14)12-4-3-5-13-7(15)8(9,10)11/h2H,1,3-5H2,(H,12,14)(H,13,15)
InChIKeyIBROGWDGQDNFSW-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.36
Rot. Bonds5

About N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide

N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide (PubChem CID 18970234) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
PubChem CID18970234
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-2-6(14)12-4-3-5-13-7(15)8(9,10)11/h2H,1,3-5H2,(H,12,14)(H,13,15)
InChIKeyIBROGWDGQDNFSW-UHFFFAOYSA-N
XLogP0.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-[2-[(2,2-difluoro-2-methylsulfinylacetyl)amino]ethyl]prop-2-enamide
CID 146374463
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504
N-(3-aminopropyl)prop-2-enamide;chloromethane
CID 126509380
4-(prop-2-enoylamino)butanamide
CID 60864661
N-butylprop-2-enamide;hydrofluoride
CID 174533496
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide?
The IUPAC name of N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide (CID 18970234) is N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide is C=CC(=O)NCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide?
The InChIKey is IBROGWDGQDNFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-2-6(14)12-4-3-5-13-7(15)8(9,10)11/h2H,1,3-5H2,(H,12,14)(H,13,15).
What are the key properties of N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide?
N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide has a molecular weight of 224.18 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 18970234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).