prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene

C6H7F4NO — CID 159835031

IUPACprop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene
SMILESC=CC(N)=O.FCC(F)=C(F)F
InChIInChI=1S/C3H2F4.C3H5NO/c4-1-2(5)3(6)7;1-2-3(4)5/h1H2;2H,1H2,(H2,4,5)
InChIKeyNNYLCQQNAFMEOJ-UHFFFAOYSA-N
MW185.12 g/mol
LogP1.69
Rot. Bonds2

About prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene

prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene (PubChem CID 159835031) has the molecular formula C6H7F4NO and a molecular weight of 185.12 g/mol. Its IUPAC name is prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene.

Molecular Properties

Compound Nameprop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene
PubChem CID159835031
Molecular FormulaC6H7F4NO
Molecular Weight185.12 g/mol
Exact Mass185.05
IUPAC Nameprop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene
SMILESC=CC(N)=O.FCC(F)=C(F)F
InChIInChI=1S/C3H2F4.C3H5NO/c4-1-2(5)3(6)7;1-2-3(4)5/h1H2;2H,1H2,(H2,4,5)
InChIKeyNNYLCQQNAFMEOJ-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3-tetrafluoroprop-1-ene
CID 11855995
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954
CID 175387410
CID 175387410
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952
potassium;prop-2-enamide;chloride
CID 161245795
CID 172708986
CID 172708986
methanamine;prop-2-enamide;hydrate
CID 174696935
ethene-1,1-diol;prop-2-enamide
CID 174658864

Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene?
The IUPAC name of prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene (CID 159835031) is prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene.
What is the SMILES notation for prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene?
The canonical SMILES for prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene is C=CC(N)=O.FCC(F)=C(F)F.
What is the InChIKey of prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene?
The InChIKey is NNYLCQQNAFMEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4.C3H5NO/c4-1-2(5)3(6)7;1-2-3(4)5/h1H2;2H,1H2,(H2,4,5).
What are the key properties of prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene?
prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene has a molecular weight of 185.12 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;1,1,2,3-tetrafluoroprop-1-ene is sourced from PubChem (CID 159835031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).