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
1.7678 -0.4423 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5873 -0.0877 -0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5646 0.0602 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7558 0.4165 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4646 -0.1657 1.7414 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6162 -0.5479 -0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8541 -0.6245 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4613 0.1013 -1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8966 0.6100 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6052 0.5255 0.6026 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