prop-2-enamide;1,1,2,2-tetrafluoroethene

C5H5F4NO — CID 88727039

IUPACprop-2-enamide;1,1,2,2-tetrafluoroethene
SMILESC=CC(N)=O.FC(F)=C(F)F
InChIInChI=1S/C3H5NO.C2F4/c1-2-3(4)5;3-1(4)2(5)6/h2H,1H2,(H2,4,5);
InChIKeyXAIYICFFIDNFON-UHFFFAOYSA-N
MW171.09 g/mol
LogP1.65
Rot. Bonds1

About prop-2-enamide;1,1,2,2-tetrafluoroethene

prop-2-enamide;1,1,2,2-tetrafluoroethene (PubChem CID 88727039) has the molecular formula C5H5F4NO and a molecular weight of 171.09 g/mol. Its IUPAC name is prop-2-enamide;1,1,2,2-tetrafluoroethene.

Molecular Properties

Compound Nameprop-2-enamide;1,1,2,2-tetrafluoroethene
PubChem CID88727039
Molecular FormulaC5H5F4NO
Molecular Weight171.09 g/mol
Exact Mass171.03
IUPAC Nameprop-2-enamide;1,1,2,2-tetrafluoroethene
SMILESC=CC(N)=O.FC(F)=C(F)F
InChIInChI=1S/C3H5NO.C2F4/c1-2-3(4)5;3-1(4)2(5)6/h2H,1H2,(H2,4,5);
InChIKeyXAIYICFFIDNFON-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.09
LogP ≤ 51.65
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

4,4,4-Trifluorocrotonamide
CID 5708781
CID 2777104
CID 2777104
(E)-3-fluoroprop-2-enamide
CID 19851284
1-Chloro-1,2,2-trifluoroethene;prop-2-enamide
CID 23450576
3-Fluoroprop-2-enamide
CID 54114983
N-(trifluoromethyl)prop-2-enamide
CID 87555952
(Z)-2,4,4-trifluorobut-2-enamide
CID 88079517
N-(trifluoromethylsulfanyl)prop-2-enamide
CID 146374397
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)prop-2-enamide
CID 152324127
(Z)-3-fluoroprop-2-enamide
CID 153696290
(E)-4,4-difluorobut-2-enamide
CID 155620840
Prop-2-enamide;2,2,2-trifluoroacetamide
CID 157967761

Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;1,1,2,2-tetrafluoroethene?
The IUPAC name of prop-2-enamide;1,1,2,2-tetrafluoroethene (CID 88727039) is prop-2-enamide;1,1,2,2-tetrafluoroethene.
What is the SMILES notation for prop-2-enamide;1,1,2,2-tetrafluoroethene?
The canonical SMILES for prop-2-enamide;1,1,2,2-tetrafluoroethene is C=CC(N)=O.FC(F)=C(F)F.
What is the InChIKey of prop-2-enamide;1,1,2,2-tetrafluoroethene?
The InChIKey is XAIYICFFIDNFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C2F4/c1-2-3(4)5;3-1(4)2(5)6/h2H,1H2,(H2,4,5);.
What are the key properties of prop-2-enamide;1,1,2,2-tetrafluoroethene?
prop-2-enamide;1,1,2,2-tetrafluoroethene has a molecular weight of 171.09 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;1,1,2,2-tetrafluoroethene is sourced from PubChem (CID 88727039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).