2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide

C6H7F3N2O2 — CID 71671954

IUPAC2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3N2O2/c1-2-3-10-5(13)11-4(12)6(7,8)9/h2H,1,3H2,(H2,10,11,12,13)
InChIKeyWJDRLNRQYSGUID-UHFFFAOYSA-N
MW196.13 g/mol
LogP0.56
Rot. Bonds2

About 2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide

2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 71671954) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID71671954
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3N2O2/c1-2-3-10-5(13)11-4(12)6(7,8)9/h2H,1,3H2,(H2,10,11,12,13)
InChIKeyWJDRLNRQYSGUID-UHFFFAOYSA-N
XLogP0.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
CID 115575971
N-(prop-2-enylcarbamoyl)but-3-enamide
CID 87949156
1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride
CID 131224415
N-(prop-2-enylcarbamoyl)formamide
CID 87901285
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide
CID 4623111
[1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite
CID 166497913
N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
CID 71671966
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-prop-2-enylurea
CID 87348247
ethyl 2,2,2-trifluoroacetate;methane;prop-2-en-1-amine;2,2,2-trifluoro-N-prop-2-enylacetamide
CID 157477078
1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 87694211
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide (CID 71671954) is 2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is WJDRLNRQYSGUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c1-2-3-10-5(13)11-4(12)6(7,8)9/h2H,1,3H2,(H2,10,11,12,13).
What are the key properties of 2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide?
2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 196.13 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 71671954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).