Monomers
2-Fluorobuta-1,3-diene
Identifiers
IUPAC name
2-fluorobuta-1,3-diene
InchI
InChI=1S/C4H5F/c1-3-4(2)5/h3H,1-2H2
InchI Key
BQHQZFUAEAVJRE-UHFFFAOYSA-N
SMILES
C=CC(=C)F
Canonical SMILES
C=CC(=C)F
Isomeric SMILES
C=CC(=C)F
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H5F
Heavy Atom Count
5
Molecular Weight
72.082
Exact Molecular Weight
72.0375
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.6556
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
10 9 0 0 0 0 0 0 0 0999 V2000
1.7438 -0.3586 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6196 0.2485 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6282 -0.2316 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7452 0.3896 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5929 -1.2934 -1.1190 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6659 0.0061 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7111 -1.1949 -0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6359 1.1107 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 1.2239 0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7124 0.0997 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 3
3 5 1 0
1 6 1 0
1 7 1 0
2 8 1 0
4 9 1 0
4 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers