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
1.6462 -0.6283 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 -0.0813 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5982 0.5074 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8211 0.0247 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7066 1.6161 1.1682 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6886 -0.4526 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4748 -1.5408 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3420 0.8582 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9128 -0.8453 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6783 0.5419 0.3751 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