prop-2-enenitrile;1,1,2,2-tetrafluoroethene

C5H3F4N — CID 174809143

IUPACprop-2-enenitrile;1,1,2,2-tetrafluoroethene
SMILESC=CC#N.FC(F)=C(F)F
InChIInChI=1S/C3H3N.C2F4/c1-2-3-4;3-1(4)2(5)6/h2H,1H2;
InChIKeyRRGKWWLVTGNBIM-UHFFFAOYSA-N
MW153.08 g/mol
LogP2.69
Rot. Bonds

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

prop-2-enenitrile;1,1,2,2-tetrafluoroethene (PubChem CID 174809143) has the molecular formula C5H3F4N and a molecular weight of 153.08 g/mol. Its IUPAC name is prop-2-enenitrile;1,1,2,2-tetrafluoroethene.

Molecular Properties

Compound Nameprop-2-enenitrile;1,1,2,2-tetrafluoroethene
PubChem CID174809143
Molecular FormulaC5H3F4N
Molecular Weight153.08 g/mol
Exact Mass153.02
IUPAC Nameprop-2-enenitrile;1,1,2,2-tetrafluoroethene
SMILESC=CC#N.FC(F)=C(F)F
InChIInChI=1S/C3H3N.C2F4/c1-2-3-4;3-1(4)2(5)6/h2H,1H2;
InChIKeyRRGKWWLVTGNBIM-UHFFFAOYSA-N
XLogP2.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enenitrile;dihydrate
CID 175150408
methanol;prop-2-enenitrile
CID 19700097
CID 159057552
CID 159057552
CID 163776931
CID 163776931
platinum;prop-2-enenitrile
CID 159226691
prop-2-enenitrile;selane
CID 175541526
propane-1,3-diol;prop-2-enenitrile
CID 174190205
sodium;prop-2-enenitrile;cyanide
CID 160859607
bromoethene;1,1-dibromoethene;prop-2-enenitrile
CID 159954280
acetic acid;prop-2-enenitrile
CID 87100572
carbon monoxide;bis(prop-2-enenitrile);tungsten
CID 134899253
nitric acid;prop-2-enenitrile
CID 157263190

Frequently Asked Questions

What is the IUPAC name of prop-2-enenitrile;1,1,2,2-tetrafluoroethene?
The IUPAC name of prop-2-enenitrile;1,1,2,2-tetrafluoroethene (CID 174809143) is prop-2-enenitrile;1,1,2,2-tetrafluoroethene.
What is the SMILES notation for prop-2-enenitrile;1,1,2,2-tetrafluoroethene?
The canonical SMILES for prop-2-enenitrile;1,1,2,2-tetrafluoroethene is C=CC#N.FC(F)=C(F)F.
What is the InChIKey of prop-2-enenitrile;1,1,2,2-tetrafluoroethene?
The InChIKey is RRGKWWLVTGNBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N.C2F4/c1-2-3-4;3-1(4)2(5)6/h2H,1H2;.
What are the key properties of prop-2-enenitrile;1,1,2,2-tetrafluoroethene?
prop-2-enenitrile;1,1,2,2-tetrafluoroethene has a molecular weight of 153.08 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enenitrile;1,1,2,2-tetrafluoroethene is sourced from PubChem (CID 174809143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).