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
1.7586 -0.0534 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5698 -0.4681 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5849 0.4105 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7689 0.0207 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4155 1.6420 0.6415 F 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 0.9040 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5966 -0.7089 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4147 -1.4512 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8827 -0.9652 -0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6218 0.6697 -0.1631 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